1.

Active sites of Pd-doped Flat and Stepped Cu(111) surfaces for H2 Dissociation in Heterogeneous Catalytic Hydrogenation Q. Fu and Y. Luo , ACS Catal., 3 (2013) 1245

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2.

Big Bandgap in Highly Reduced Graphene Oxides K. Y. Lian, Y. F. Ji, X. F. Li, M.X. Jin, D.J. Ding and Y. Luo , J. Phys. Chem. C, 117 (2013) 6049

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3.

Blinking, Flickering, and Correlation in Fluorescence of Single Colloidal CdSe Quantum Dots with Different Shells under Different Excitations L. Li, G. J. Tian, Y. Luo, H. Brismar and Y. Fu J. Phys. Chem. C, 117 (2013) 4844

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4.

Chemical mapping of a single molecule with sub-nm resolution by plasmon enhanced Raman scattering R. Zhang, Y. Zhang, Z. C. Dong, S. Jiang, C. Zhang, L. G. Chen, L. Zhang, Y. Liao, J. Aizpurua, Y. Luo, J. L. Yang and J.G. Hou Nature, 498 (2013) 82

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5.

Density Functional Theory Study on the Adsorption and Decomposition of the Formic Acid Catalyzed by Highly Active Mushroom-like Au@Pd@Pt Tri-Metallic Nanoparticles S. Duan, Y.F. Ji, P. P. Fang, Y.-X. Chen, X. Xu, Y. Luo and Z.Q. Tian , PCCP, 15 (2013) 4625

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6.

Effects of the Basis Set and of the Exchange-Correlation Functional on the Inelastic Electron Tunneling Signatures of 1,4-benzenedithiol A. Ségerie, L. L. Lin, V. Liégeois, Y. Luo and B. Champagne Spectrochimica Acta A, 00 (2013) 000

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7.

Elastic and Inelastic Electron Transport in Metal-Molecule(s)-Metal Junctions L. L. Lin, J. Jiang and Y. Luo Physica E 47 (2013) 167

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8.

First Principles Study of O2 Adsorption on Reduced Rutile TiO2-(110) Surface Under UV Illumination and Its Role on CO Oxidation Y.F. Ji, B. Wang and Y. Luo J. Phys. Chem. C, 117 (2013) 956

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9.

Fluorescence and Phosphorescence of Single C60 Molecules Stimulated by A Scanning Tunneling Microscope G. J. Tian and Y. Luo Angewandte Chemie, 52 (2013) 4814

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10.

Identification of Free OH and its Implication on Structural Changes of Liquid Water K. Lin, X. Zhou, S.L. Liu and Y. Luo Chin. J. Chem. Phys., 26 (2013) 121

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11.

Identification of the Scaling Relations for Binary Noble Metal Nanoparticles, Q. Fu, X.R. Cao and Y. Luo , J. Phys. Chem. C, 117 (2013) 2849

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12.

Quantum Effects on Global Structure of Liquid Water K. Lin, N. Hu, X. Zhou, S.L. Liu and Y. Luo Chin. J. Chem. Phys., 26 (2013) 127

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13.

Role of Non-Condon Vibronic Coupling and Conformation Change on Two-Photon Absorption Spectra of Green Fluorescent Protein Y. J. Ai, G. J. Tian and Y. Luo , Mol. Phys. 00 (2013) 000

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14.

Thermal Effects on Electronic Properties of CO/Pt(111) in Water S. Duan, X. Xu, Y. Luo, K. Hermanssona and Z.Q. Tian , PCCP, 00 (2013) 000

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15.

Charge transfer and retention in directly coupled Au-CdSe nanohybrids B. Gao, Y. Lin, S. Wei, J. Zeng, Y. Liao, L. Chen, D. Goldfeld, X.P. Wang, Y. Luo, Z.C. Dong and J. Hou , Nano Res. 5 (2012) 88

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16.

Coherent random fiber laser based on nanoparticles scattering in the extremely weakly scattering regime Z. Hu, Q. Zhang, B. Miao, Q. Fu, G. Zou, Y. Chen, Y. Luo, D. Zhang, P. Wang, H. Ming and Q. Zhang , Phys. Rev. Lett. 109 (2012) 253901

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17.

Direct-Writing of Electronic Devices on Graphene Oxides by Catalytic Scanning Probe Lithography K. Zhang, Q. Fu, N. Pan, X. Yu, J. Liu, Y. Luo, X.P. Wang, J. L. Yang and J.G. Hou Nature Communications, 3 (2012) 1194 DOI: 10.1038/ncomms2200

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18.

Effects of Protonation, Hydrogen Bonding and Photo-Damaging on X-Ray Spectroscopy of the Amine Terminal Group in Aminothiolate Monolayers X. N. Song, Y. Ma, C. K. Wang, P. M. Dietrich, W. E.S. Unger and Y. Luo J. Phys. Chem. C 116 (2012) 12649 DOI: 10.1021/jp302716w

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19.

Electronic band structure of graphene from resonant soft x-ray spectroscopy: The role of core-hole effects L. Zhang, N. Schwertfager, T. Cheiwchanchamnangij, X. Li, P.-A. Glans-Suzuki, L. Piper, S. Limpijumnong, Y. Luo, J. F. Zhu, W. Lambrecht and J.-H. Guo , Phys. Rev. B. 86 (2012) 245430

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20.

Electronic structure of room-temperature ferromagnetic Mg1-xFexOy thin films M. Kapilashrami, H. Zhang, M. Fang, X. Li, X. Sun, K.V. Rao, L. Belova, Y. Luo and J. H. Guo Appl. Phys. Lett., 101 (2012) 082411

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21.

Electronic transport through zigzag/armchair graphene nanoribbon heterojunctions. X.F. Li, L.L. Wang, K.Q. Chen and Y. Luo , J. Phys. Condensed Matter, 24 (2012) 095801

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22.

Fabrication of Graphene Nanomesh and Improved Chemical Enhancement for Raman Spectroscopy, J. Liu, , H. Cai, X. Yu, K. Zhang, X. Li, J. Li, N. Pan, Q. Shi, Y. Luo and X.P. Wang , J. Phys. Chem. C, 116 (2012) 15741

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23.

First-principles simulation of soft X-ray spectroscopy W. Hua, B. Gao and Y. Luo , Prog. Chem., 24 (2012) 964.

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24.

First Principles Study on Core-Level Spectroscopy of Arginine in Gas and Solid Phases H.B. Li, W. Hua, Z.J. Lin and Y. Luo , J. Phys. Chem. B, 116 (2012) 12641

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25.

Hybrid molecular dynamics and first-principles study on the work function of a Pt(111) electrode immersed in aqueous solution at room temperature S. Duan, X. Xu, Z.Q.Tian and Y. Luo Phys. Rev. B, 86 (2012) 045450

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26.

Increased chemical enhancement of Raman spectra for molecules adsorbed on fluorinated reduced graphene oxide X. Yu, K. Lin, K. Qiu, H. Cai, X. Li, J. Liu, N. Pan, S. Fu, Y. Luo and X.P. Wang , CARBON, 50 (2012) 4512

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27.

In Situ Molecular-Level Insights into the Interfacial Structure Changes of Membrane-Associated Prion Protein Fragment [118-135] Investigated by Sum Frequency Generation Vibrational Spectroscopy, H. Li, S.J. Ye, W. Feng, S. Ma and Y. Luo Langmuir, 28 (2012) 16979

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28.

Location of Trapped Hole on Rutile-TiO2(110) Surface and Its Role in Water Oxidation Y.F. Ji, B. Wang and Y. Luo , J. Phys. Chem. C, 116 (2012) 7863

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29.

Observation of Photocatalytic Dissociation of Water on Terminal Ti Sites of TiO2(110)-1x1 Surface, S. Tan, H. Feng, Y.F. Ji, Y. Wang, J. Zhao, A. Zhao, B. Wang, Y. Luo, J.L. Yang and J. Hou , J. Am. Chem. Soc., 134 (2012) 9978

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30.

Photoassisted Magnetization of Fullerene C60 with Magnetic-Field Trapped Raman Scattering Z. Luo, X. Cheng, Y. Luo, B. Loo, A. Peng and J.N. Yao J. Am. Chem. Soc. 134 (2012) 1130 DOI: 10.1021/ja209107u

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31.

Plasmon resonances in linear noble-metal chains B. Gao, K. Ruud and Y. Luo , J. Chem. Phys., 137 (2012) 194307

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32.

Reorientation Dynamics in Liquid Alcohols from Raman Spectroscopy K. Lin, N. Hu, X.G. Zhou, S.L. Liu and Y. Luo , J. Raman Spectr., 43 (2012) 82

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33.

Spectral Character of Intermediate State in Solid-State Photoarrangement of alpha-Santonin X. Chen, G. J. Tian, Z. Rinkevicius, O. Vahtras, Z. Cao, H. Ågren and Y. Luo Chem. Phys., 405 (2012) 40

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34.

Stable High-Energy Density Super-Atom Clusters of Aluminum Hydride K.Y. Lian, Y.F. Jiang, D.H. Fei, W. Feng, M.X. Jin, D.J. Ding and Y. Luo , Chin. J. Chem. Phys., 25 (2012) 147

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35.

Strong current polarization and negative differential resistance in chiral graphene nanoribbons with reconstructed edges, X.F. Li, L. L. Wang, K. Q. Chen and Y. Luo , Appl. Phys. Lett., 101 (2012) 073101

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36.

The identification of 13 and 14 coordinated structures of first hydrated shell of [AuCl4]- acid aqueous solution by combination of MD and XANES Q. Ye, J. Zhou, T. Zhao, H. Zhao, W. Chu, Z. Sheng, X. Chen, A. Marcelli, Y. Luo and Z. Wu , J. Phys. Chem. B, 116 (2012) 7866

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37.

Theoretical Insights into the Charge Transport in Perylene Diimides Based n-type Organic Semiconductors, L. L. Lin, H. Gen, Y. Luo and Z.G. Shuai , Org. Electron.13 (2012) 2763

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38.

Theoretical studies on isomerization mechanism of the ortho-Green Fluorescent Protein chromophore Y. J. Ai, R. Z. Liao, W.-H. Fang and Y. Luo , PCCP, 14 (2012) 13409

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39.

Theoretical studies on the photo-induced rearrangement mechanism of santonin X. Chen, Z. Rinkevicius, Y. Luo, H. Ågren and Z. Cao , ChemPhysChem 13, 353-362 (2012)

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40.

Theoretical study of core excitations of fullerene-based polymer solar cell acceptors X. N. Song, W. Hua, Y. Ma, C.-K. Wang and Y. Luo J. Phys. Chem. C 2012, 116, 23938 DOI: 10.1021/jp307834x

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41.

X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: A firstprinciples study W. Hua, Y. J. Ai, B. Gao, H.B. Li, H. Ågren and Y. Luo PCCP, 14 (2012), 9666-9675 DOI: 10.1039/C2CP40732A

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42.

Accurate Bond Dissociation Enthalpies by Using Doubly Hybrid XYG3 Functional I. Y. Zhang, J. M. Wu, Y. Luo and X. Xu , J. Comput. Chem., 32 (2011) 1824.

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43.

A Density Functional Theory Approach to Mushroom-like Platinum Clusters on Palladium-Shell over Au Core Nanoparticles for High Electrocatalytic Activity S. Duan, P. Fang, F. Fan, I. Broadwell, F. Yang, D. Wu, B. Ren, C. Amatore, Y. Luo, X. Xu and Z.Q. Tian PCCP, 13 (2011) 5441

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44.

A first principles study on the dissociation and rotation processes of a single O2 molecule on the Pt(111) surface Q. Fu, J.-L. Yang and Y. Luo , J. Phys. Chem. C, 115 (2011) 6864.

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45.

Assignments of Inelastic Electron Tunneling Spectra of Semifluorinated Alkanethiol Molecular Junctions L. L. Lin, B. Zou, C.-K. Wang and Y. Luo J. Phys. Chem. C, 115 (2011) 20301

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46.

Density-matrix approach for the electroluminescence of molecules in a scanning tunneling microscope G. J. Tian, J. –C. Liu and Y. Luo Phys. Rev. Lett., 106 (2011) 177401

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47.

Design of Graphene-Nanoribbon Heterojunctions from First Principles X.F. Li, L.L. Wang, K.Q. Chen and Y. Luo J. Phys. Chem. C, 115 (2011) 12616

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48.

Differences in two-photon and one-photon absorption profiles induced by vibronic coupling: The case of dioxaborine heterocyclic dye, N. Lin, Y. Luo, K. Ruud, X. Zhao, F. Santoro and A. Rizzo , ChemPhysChem 12 (2011) 3392

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49.

Electroluminescence of molecules in a scanning tunneling microscope: Role of tunneling electrons and surface plasmons G. J. Tian and Y. Luo Phys. Rev. B 84 (2011) 205419

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50.

Electronic Structure of Bismuth Telluride Quasi-Two-Dimensional Crystal: A First Principles Study X. Li, H. Ren and Y. Luo Appl. Phys. Lett. 98 (2011) 083113

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51.

Energy Landscape Inside the Cage of Neutral and Charged N@C60 X. N. Song, Y. Ma, C. K. Wang and Y. Luo Chem. Phys. Lett., 517 (2011) 199 DOI: 10.1016/j.cplett.2011.10.045

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52.

Exploring concerted effects of base pairing and stacking on the excited-state nature of DNA oligonucleotides by DFT and TD-DFT studies Y. J. Ai, G.-L. Cui, Q. Fang, W.-H. Fang and Y. Luo Int. J. Quant. Chem. 111 (2011) 2366

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53.

Inelastic Electron Tunneling Spectroscopy of Gold-benzenedithiol-Gold Junctions: Accurate Determination of Molecular Conformation L. L. Lin, C.-K. Wang and Y. Luo ACS Nano 5 (2011) 2257

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54.

Intrinsic Property of Flavin Mononucleotide Controls its Optical Spectra in Three Redox States, Y. J. Ai, G. J. Tian, R.Z. Liao, Q. Zhang, W.-H. Fang and Y. Luo , ChemPhysChem 12 (2011) 2899

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55.

Laser-launched evanescent surface plasmon polariton field utilized as a direct coherent pumping source to generate emitted nonlinear four-wave mixing radiation, Q. Zhang, K. Lin and Y. Luo Optics Express, 19 (2011) 4991.

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56.

Molecular Polarization Bridging Physical and Chemical Enhancements in Surface Enhanced Raman Scattering S. Duan, X. Xu, Y. Luo and Z.Q. Tian Chem. Comm. 47 (2011) 11438

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57.

Multidecker Bis(benzene)chromium: Opportunities for Design of Rigid and Highly Flexible Molecular Wires J. Jiang, J. Smith, Y. Luo, H. Grennberg and H. Ottosson , J. Phys. Chem. C, 115 (2011) 785

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58.

Potential-induced Raman behavior of individual (R)-di-2-naphthylprolinol molecules on a Ag-modified Ag electrode Z. Luo, W. Yang, Y. Luo, A. Peng, Y. Ma, H. Fu, J.N. Yao and B. Loo , J. Raman Spectr., 42 (2011) 951

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59.

Repair of DNA Dewar Photoproduct to (6-4) Photoproduct in (6-4) Photolyase Y. J. Ai, R. Liao, S. Chen, Y. Luo and W. Fang , J. Phys. Chem. B, 115 (2011) 10976

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60.

Role of the 3(π π*) State in Photolysis of Lumisantonin: Insight from ab Initio Studies X. Chen, Z. Rinkevicius, Y. Luo, H. Ågren and Z.X. Cao J. Phys. Chem. A 115, (2011) 7815

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61.

Time-resolved detection enables standard two-photon fluorescence microscopy for in vivo label-free imaging of microvasculature in tissue, D. Li, W. Zheng, W. Zhang, S. K. Teh, Y. Zeng, Y. Luo and J. Y. Qu , Opt. Lett., 36 (2011) 2638.

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62.

Tuning chemical enhancement of SERS by controlling the chemical reduction of graphene oxide nanosheets X.X. Yu, H.B. Cai, W.H. Zhang, X.J. Li, N. Pan, Y. Luo, X.P. Wang and J.G. Hou， ACS Nano, 5 (2011) 952

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63.

Tuning the Electronic Transport Properties of Zigzag Graphene Nanoribbons via Hydrogenation Separators X.F. Li, L.L. Wang, K.Q. Chen and Y. Luo J. Phys. Chem. C, 115 (2011) 24366

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64.

Two-photon excited hemoglobin fluorescence W. Zheng, D. Li, Y. Zeng, Y. Luo and J. Y. Qu Biomed. Opt. Express 2 (2011) 71

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65.

Two-photon excited hemoglobin fluorescence provides contrast mechanism for label-free imaging of microvasculature in vivo D. Li, W. Zheng, Y. Zeng, Y. Luo and J. Y. Qu , Optics Letters, 36 (2011) 834.

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66.

Understanding the influence of the guest-host interaction on the conformations of short peptides in the hydrophobic cavity: a computational study    W. Hua, L. Xu, Y. Luo and S. Li , ChemPhysChem 12 (2011) 1325.

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67.

Basis set dependence of the doubly hybrid XYG3 functional I. Y. Zhang, Y. Luo and X. Xu J. Chem. Phys., 133 (2010) 104105

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68.

Determination of the configuration of a single molecular junction by inelastic electron tunneling spectroscopy L. L. Lin, X. N. Song, J.C. Leng, Z. L. Li, Y. Luo and C.-K. Wang J. Phys. Chem. C 114 (2010) 5199

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69.

Effects of Co-existing Isomers on Two-Photon Absorption of Organic Molecules in Solutions K. Zhao and Y. Luo J. Phys. Chem. B, 114 (2010) 13167

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70.

Effects of interface roughness on electronic transport properties of nanotube-molecule-nanotube junctions X.F. Li, K.Q. Chen, L.L. Wang and Y. Luo J. Phys. Chem. C, 114 (2010) 12335

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71.

Effects of Structural Fluctuations on Two-Photon Absorption Activity of Interacting Dipolar Chromophores K. Zhao, P.-W. Liu, C.-K. Wang and Y. Luo J. Phys. Chem. B, 114 (2010) 10814

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72.

Electronic structure study of the bases in DNA duplexes by in situ photon-in/photon-out soft X-ray spectroscopy J.-H. Guo, S. Kastanov, J. Soderstrom, P.-A. Glans, M. West, T. Learmonth, J.-W. Chiou, Y. Luo, J. Nordgren, K. Smith, W.-F. Pong, H. Cheng and J.M. Griffiss J. Electr. Spectros. Relat. Phenom., 181 (2010) 197

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73.

Field Effects on Statistical Behavior of Single Molecular Junctions in Aqueous Solution H. Cao, J. Ma and Y. Luo Nano Res. 3 (2010) 350

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74.

Formation and electronic transport properties of bimolecular junctions based on aromatic coupling， L. L. Lin, X. N. Song, Y. Luo and C.-K. Wang , J. Phys. Condens. Mat., 22 (2010) 325102

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75.

Generation of molecular hot-electroluminescence by resonant nanocavity plasmons Z.C. Dong, X.L. Zhang, H.Y. Gao, Y. Luo, C. Zhang, L.G. Chen, R. Zhang, X. Tao, Y. Zhang, J.-L. Yang and J.G. Hou Nature Photonics, 4 (2010) 50

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76.

Identification of metal-cage coupling in a single metallofullerene by inelastic electron tunneling spectroscopy J. Jiang, B. Gao, Z. P. Hu, Wei. Lu, Z. Y. Wu, J. -L. Yang and Y. Luo， Appl. Phys. Lett. 96 (2010) 253110

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77.

Identifying Configuration and Orientation of Adsorbed Molecules by Inelastic Electron Tunneling Spectra H. Ren, J.-L. Yang and Y. Luo J. Chem. Phys., 133 (2010) 064702

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78.

Importance of the Intramolecular-Hydrogen Bond on Photochemistry of Anionic Hydroquinone (FADH−) in DNA photolyase Y. J. Ai, F. Zhang, S.F. Chen, Y. Luo and W.-H. Fang J. Phys. Chem. Lett. 1 (2010) 743

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79.

Important Structural Factors Controlling the Conductance of DNA Pairs in Molecular Junctions, X.F. Li, H. Ren, L.L. Wang, K.Q. Chen, J. -L. Yang and Y. Luo , J. Phys. Chem. C, 114 (2010) 14240

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80.

Molecular structure in water and solutions studied by photon-in/photon-out soft X-ray spectroscopy J.H. GUO and Y. LUO J. Elec. Spec. Rel. Phen. 177 (2010) 181

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81.

Nonadiabatic Histidine Dissociation of Hexacoordinate Heme in Neuroglobin Protein F. Zhang, Y. J. Ai, Y. Luo and W.-H. Fang J. Phys. Chem. A, 114 (2010) 1980.

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82.

Refinement of DNA Structures through NEXAFS Analysis: Applications on Guanine and Cytosine Nucleobases, Nucleosides and Nucleotides W. Hua, B. Gao, S. Li, H. Ågren and Y. Luo J. Phys. Chem. B, 114 (2010) 13214

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83.

Structural dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters J. Jiang, L. Sun, B. Gao, Z. Wu, W. Lu, J.-L. Yang and Y. Luo J. Appl. Phys., 108 (2010) 094303

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84.

Structures of Water Molecules Adsorbed on a Gold Electrode under Negative Potentials S. Duan, D. Y. Wu, X. Xu, Y. Luo and Z.Q. Tian J. Phys. Chem. C 114 (2010) 4051

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85.

Systematic Study of Soft-X-Ray Spectra of Poly(Dg)-Poly(Dc) and Poly(Da)-Poly(Dt) DNA Duplexes W. Hua, H. Yamane, B. Gao, J. Jiang, S. Li, H. Kato, M. Kawai, T. Hatsui, Y. Luo, N. Kosugi and H. Agren , J. Phys. Chem. B, 114 (2010) 7016

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86.

The Microscopic Structure of Liquid Methanol from Raman Spectroscopy K. Lin, X. G. Zhou, Y. Luo and S.L. Liu J. Phys. Chem. B 114 (2010) 3567

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87.

Theoretical Studies on Photo-Isomerizations of (6-4) and Dewar Photolesions in DNA Y. J. Ai, R.Z. Liao, S. Chen, Y. Luo and W. -H. Fang J. Phys. Chem. B, 114 (2010) 14096

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88.

Trends in R–X Bond Dissociation Energies (R= Me, Et, i-Pr, t-Bu, X= H, Me, Cl, OH) I. Y. Zhang, J. Wu, Y. Luo and X. Xu J. Chem. Theo. Comput., 6 (2010) 1462

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89.

Ultrafast Deactivation Processes in the 2-Aminopyridine Dimer and the A-T Base Pair: Similarities and Differences Y. J. Ai, F. Zhang, G. Cui, Y. Luo and W.-H. Fang J. Chem. Phys., 133 (2010) 064302

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90.

Understanding the concept of randomness in inelastic electron tunneling excitations, Q. Fu, Y. Luo, J.-L. Yang and J.G. Hou , Phys. Chem. Chem. Phys., 12 (2010) 12012.

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91.

Understanding the scattering mechanism of single-walled carbon nanotube based gas sensors J. Zhong, J.-H. Guo, B. Gao, J.-W. Chiou, J. Lia, W. Chua, W.-F. Pong, C. Chang, Y. Luo and Z.Y. Wu , Carbon 48 (2010) 1970

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92.

Weak Gate Effect in 1,3-Benzenedithiol Molecular Device W.Y. Su and Y. Luo , Chin. Phys. Lett. 27 (2010) 048502

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93.

X-ray absorption spectra of graphene from first-principles simulations W. Hua, B. Gao, S. Li, H. Ågren and Y. Luo Phys. Rev. B 82 (2010) 155433

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94.

XYG3s: Speedup of the XYG3 fifth-rung density functional with scaling-all-correlation method I. Y. Zhang, J. Wu, Y. Luo and X. Xu J. Chem. Phys., 132 (2010) 194105

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95.

A first principles study on optical transparency mechanism in Dy doped alpha-SiAlON ceramics H. M. Zhong, Q. Liu, J. Jiang, G. Y. Sun and Y. Luo J. Appl. Phys. 106, (2009) 093514

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96.

A first principles study on the geometric and electronic structures of the FeO/Pt(111) surface W.-H. Zhang, Z.Y. Li, Y. Luo and J.-L. Yang J. Phys. Chem. C, 113 (2009) 8302

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97.

A multi-dimensional microcanonical Monte Carlo study of S-0 -> T-1 intersystem crossing of isocyanic acid F. Zhang, W.-H. Fang, Y. Luo and R.Z. Liu Sci. China Ser. B - Chem., 52 (2009) 1885

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98.

Bio-nano interaction of proteins adsorbed on single-walled carbon nanotubes J. Zhong, L. Song, J. Meng, B. Gao, W.S. Chu, H.Y. Xu, Y. Luo, J.-H. Guo, A. Marcelli, S.S. Xie and Z.Y. Wu Carbon 47 (2009) 967

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99.

Chirality and diameter dependent x-ray absorption of single-walled carbon nanotubes B. Gao, Z.Y. Wu, H. Ågren and Y. Luo J. Chem. Phys. 131 (2009) 034704

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100.

Density functional study on the mechanism of CO oxidation with activated water on O/Au(111) surface W.-H. Zhang, Z. Y. Li, Y. Luo and J.-L. Yang Chin. Sci. Bulli. 54 (2009) 1973

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101.

Design and Control of Electron Transport Properties of Single Molecules S. Pan, Q. Fu, T. Huang, A. Zhao, B. Wang, Y. Luo, J.-L. Yang and J.G. Hou Proc. Natl. Acad. Sci. USA, 106 (2009) 15259

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102.

Effect of aromatic coupling on electronic transport in bimolecular junctions L. L. Lin, J.-C. Leng, X. N. Song, Z.-L. Li, Y. Luo and C.-K. Wang J. Phys. Chem. C, 113 (2009) 14474

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103.

Electronic structure of [121]tetramantane-6-thiol on gold and silver surfaces W.-H. Zhang, B. Gao, J.-L. Yang, Z.Y. Wu, V. Carravetta and Y. Luo J. Chem. Phys. 130 (2009) 054705

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104.

Exploring at nanoscale from first principles Q. Fu, L.F. Yuan, Y. Luo and J.L. Yang Fronti. Phys. China, 4 (2009) 256

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105.

First-principles calculations of adsorption and dehydrogenation of trans-2-butene molecule on Pd(110) surface Q. Fu, J.-L. Yang and Y. Luo J. Chem. Phys. 131 (2009) 154703

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106.

Graphene Nanoribbon as a Negative Differential Resistance Device H. Ren, Q.X. Li, Y. Luo and J.-L. Yang Appl. Phys. Lett. 94 (2009) 173110. DOI: 10.1063/1.3126451

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107.

How Graphene Is Cut upon Oxidation? Z.Y. Li, W.-H. Zhang, Y. Luo; J.-L. Yang, and J. G. Hou J. Am. Chem. Soc. (Communication) 131 (2009) 6320

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108.

Mechanism for Tautomerization Induced Conductance Switching of Naphthalocyanin Molecule Q. Fu, J.-L. Yang and Y. Luo Appl. Phys. Lett. 95 (2009) 182130

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109.

Molecular Dynamics and Quantum Chemistry Study on Conformations and Optical Properties of Hydrogen Bonded Dipolar Merocyanine Dyes K. Zhao, Y.Q. Tu and Y. Luo J. Phys. Chem. B, 113 (2009) 10271.

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110.

Nano-Mechanically Induced Molecular Conductance Switch X.F. Li, L.L. Wang, K.Q. Chen and Y. Luo Appl. Phys. Lett., 95 (2009) 232118

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111.

Nonradiative decay of the lowest excited singlet state of 2-aminopyridine is considerably faster than the radiative decay F. Zhang, Y. J. Ai, Y. Luo and W.-H. Fang J. Chem. Phys. 130 (2009) 144315

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112.

Oxidation States of Graphene: Insights from Computational Spectroscopy W.-H. Zhang, V. Carravetta, Z.Y. Li, Y. Luo and J.-L. Yang J. Chem. Phys. 131 (2009) 244505.

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113.

Photodissociation of Phosgene: Theoretical Evidence for the Ultrafast and Synchronous Concerted Three-Body Process Q. Fang, F. Zhang, L. Shen, W.-H. Fang and Y. Luo J. Chem. Phys. 131 (2009) 164306

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114.

Simulation of Inelastic Electronic Tunneling Spectra of Adsorbates from First-Principles H. Ren, J.-L. Yang and Y. Luo J. Chem. Phys. 130 (2009) 134707

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115.

Single Molecule’s Conductance Depending On Its Orientation Y.S. Ning, J. Jiang, Q. Fu, J.Z. Liu, Z.L. Shi, Y. Luo, B.Z. Tang and N. Lin J. Phys. Chem. C, 113 (2009) 26.

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116.

Stabilizing single-molecular Raman spectrum of a nonbonding molecule on Ag nanoparticles Z. Luo, Y. Luo, J. Li, K. Liu, H. Fu, Y. Ma and J.N. Yao Chem. Commun., 2009, 1342 - 1344 DOI: 10.1039/b819402e

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117.

Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone N. Lin, F. Santoro, A. Rizzo, Y. Luo, X. Zhao and V. Barone J. Phys. Chem. A 113 (2009) 4198

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118.

Two and Three photon absorption of organic ionic pyrylium based materials P.C. Jha, Y. Luo, I. Polyzos, P. Persephonis and H. Ågren , J. Chem. Phys. 130, 174312 (2009)

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119.

A density functional theory study of shake-up satellites in photoemission of carbon fullerenes and nanotubes B. Gao, Z.Y. Wu and Y. Luo J. Chem. Phys. 128 (2008) 234704

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120.

A first-principles study of NO adsorption and oxidation on Au(111) surface W.-H. Zhang, Z.Y. Li, Y. Luo and J.-L. Yang J. Chem. Phys. 129 (2008) 134708

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121.

A Molecular View on Electron Transport in Molecular Electronic Devices M. Kula, J. Jiang and Y. Luo J. Comput. Theor. Nanosci. 5, (2008) 401

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122.

An efficient first-principles approach for electronic structures calculations of nanomaterials B. Gao, J. Jiang, K. Liu, Z. Wu, W. Lu and Y. Luo J. Comput. Chem. 29 (2008) 434

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123.

Basis Set Dependence of Solute-Solvent Interaction Energy of Benzene in Water: A HF/DFT study L. Bondesson, E. Rudberg, Y. Luo and P. Sałek J. Comput. Chem. 29(11), 1725-1732 (2008) DOI: 10.1002/jcc.20930

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124.

Effects of intermolecular interaction on inelastic electron tunneling spectra M. Kula and Y. Luo J. Chem. Phys. 128 (2008) 064705.

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125.

Energy gap, electronic structure and X-ray spectroscopies of finite semiconducting single-walled carbon nanotubes B. Gao, J. Jiang, Z.Y. Wu and Y. Luo J. Chem. Phys. 128 (2008) 084707

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126.

Identification of Switching Mechanism in Molecular Junctions by Inelastic Electron Tunneling Spectroscopy H. Cao, J. Jiang, J. Ma and Y. Luo J. Phys. Chem. C, 112 (2008) 11018.

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127.

Molecular modeling of inelastic electron transport in molecular junctions J. Jiang, M. Kula and Y. Luo J. Phys. Conden. Matter 20 (2008) 374110

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128.

Near-edge x-ray absorption studies of Na-doped tetracyanoethyelene films E. Carlegrim, B. Gao, A. Kanciurzewska, M.P. de Jong, Z. Wu, Y. Luo and M. Fahlman Phys. Rev. B 77 (2008) 054420

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129.

Quantum molecular dynamics study of water on TiO2(110) surface W.-H. Zhang, J.-L. Yang, Y. Luo, S. Monti and V. Carravetta J. Chem. Phys. 129, 064703 (2008)

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130.

Solvent Effects on the Three-Photon Absorption of a Symmetric Charge-Transfer Molecule N. Lin, L. Ferrighi, X. Zhao, K. Ruud, A. Rizzo and Y. Luo J. Phys. Chem. B, 112 (2008) 4703.

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131.

Temperature-Dependent Statistical Behavior of Single Molecular Conductance in Aqueous Solution H. Cao, J. Jiang, J. Ma and Y. Luo J. Am. Chem. Soc. (Communication) 132 (2008) 6674

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132.

The structural determination of an endohedral metallofullerene Gd@C82 by XANES L. Liu, B. Gao, W.S. Chu, D.L. Chen, T.D. Hu, C.R. Wang, L. Dunsch, A. Marcelli, Y. Luo and Z.Y. Wu Chem. Commu, (2008) 474.

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133.

Three-branched dendritic NLOphores, more than three times a single-strand chromophore? J. Holtmann, E. Walczuk, M. Dede, C. Wittenburg, J. Heck, G. Archetti, R. Wortmann, H.-G. Kuball, Y.-H. Wang, K. Liu and Y. Luo J. Phys. Chem. B 112 (2008) 14751

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134.

Two-Photon Absorption of Hydrogen Bonded Octupolar Molecule Clusters K. Liu, Y.-H. Wang, Y.Q. Tu, H. Ågren and Y. Luo J. Phys. Chem. B, 112 (2008) 4387.

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135.

Vibronically-induced change in the chiral response of molecules revealed by electronic circular dichroism spectroscopy N. Lin, Y. Luo, F. Santoro, X. Zhao and A. Rizzo Chem. Phys. Lett. 464 (2008) 144

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136.

Aggregation Effect on Two-Photon Absorption Spectra of Octupolar Molecules K. Liu, Y.-H. Wang, Y.Q. Tu, H. Ågren and Y. Luo J. Chem.Phys. \bf 127, 026101 (2007)

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137.

A linear scaling study of solvent-solute interaction energy of drug molecules in aqua solution L. Bondesson, E. Rudberg, Y. Luo and P. Sałek J. Phys. Chem. B, 111 (34), 10320 -10328, 2007

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138.

Breakdown of optical power limiting and dynamical two-photon absorption for femtosecond laser pulses in molecular medium C.-K. Wang, J.-C. Liu, K. Zhao, Y. -P. Sun and Y. Luo J. Opt. Soc. Am. B 24 (2007) 2436

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139.

Effects of field-induced geometry relaxation on the electron transport properties of 4,4’-biphenyldithiol molecular junction B. Zou, Z. L. Li, X. N. Song, Y. Luo and C.-K. Wang Chem. Phys. Lett., 447 (2007) 669

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140.

Hydrogen bonding effects on infrared and Raman spectra of drug molecules L. Bondesson, K.V. Mikkelsen, Y. Luo, P. Garberg and H. Ågren Spectrochimica Acta A: Mol. Bio. Spectro. 66, 213 (2007)

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141.

Mechanism for negative differential resistance in molecular electronic devices: Local orbital symmetry matching L. Chen, Z. Hu, A. Zhao, B. Wang, Y. Luo, J.-L. Yang and J.G. Hou Phys. Rev. Lett., 99 (2007) 146803

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142.

Modulation of supercontinuum generation and formation of attosecond pulse from a generalized two-level medium K. Zhao, J.-C. Liu, C.-K. Wang and Y. Luo J. Phys. B: At. Mol. Opt. Phys. 40 (2007) 1523

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143.

Non-local exchange interaction removes half-metallicity in graphene nanoribbons E. Rudberg, P. Sałek and Y. Luo Nano Letters, 8, 2211 (2007)

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144.

On mechanisms of enhanced fluorescence in green fluorescent proteins E.B. Starikov, I. Panas, Y. Mochizuki, S. Tanaka, Y. Luo and H. Ågren Biophysical Reviews and Letters, 2, 221 (2007)

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145.

Origin of Q-band splitting in the absorption spectra of aluminum phthalocyanine chloride K. Liu, Y.-H. Wang, J.N. Yao and Y. Luo Chem. Phys. Lett., 438 (2007) 36

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146.

Origin of the anomalous two-photon absorption in fluorescent protein DsRed R. Nifosi and Y. Luo J. Phys. Chem. B (Letter), 111 (2007) 505

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147.

Photoconduction characteristics of a C/CNx multiwalled nanotube junction K. Xiao, Y. Fu, Y.Q. Liu, G. Yu, J. Zhai, L. Jiang, W. Hu, Z. Shuai, Y. Luo and D. Zhu Adv. Funct. Mater. 17 (2007) 2842

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148.

Photoinduced Formation of N2 Molecules in Ammonium Compounds E. F. Aziz, J. Grasjoe, J. Forsberg, E. Andersson, J. Soederstroem, L. Duda, W.-H. Zhang, J.-L. Yang, S. Eisebitt, C. Bergstroem, Y. Luo, J. Nordgren, W. Eberhardt and J.-E. Rubensson J. Phys. Chem. A, 111 (2007) 9662

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149.

Predictions of Novel Two-Photon Absorption Bands in Fluorescent Proteins R. Nifosi and Y. Luo J. Phys. Chem. B, 111 (2007) 14043

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150.

Solvent effects on two-photon absorption of dialkylamino substituted distyrylbenzene chromophore K. Zhao, L. Ferrighi, L. Frediani, C.-K. Wang and Y. Luo J Chem Phys 126 (2007) 204509

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151.

Spectral Identification of Fullerene C82 Isomers B. Gao, L. Liu, C.R. Wang, Z.Y. Wu and Y. Luo J. Chem. Phys. 127 (2007) 164314

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152.

Structural conformation in a poly (ethylene oxide) film obtained from X-ray emission spectroscopy (XES) S. Kashtanov, G. V. Zhuang, A. Augustsson, J. Nordgren, Y. Luo, P. N. Ross and J.-G. Guo J. Phys. Chem. B, 111 (2007) 11658.

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153.

Structure-Property Relationship in Organometallic Compounds Regarding SHG J. Heck, M. H. Prosenc, T. Meyer-Friedrichsen, J. Holtmann, E. Walczuk, M. Dede, T. Farrell, A. R. Manning, H.-G. Kuball, G. Archetti, Y.-H. Wang, K. Liu and Y. Luo Proc. SPIE, 6653, (2007) 66530R

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154.

Vibronic induced one and two-photon absorptions of a charge-transfer molecule N. Lin, X. Zhao, A. Rizzo and Y. Luo J. Chem.Phys. 126 (2007) 244509

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155.

Advancing conjugated polymers into nanometer-scale devices W.P. Hu, H. Nakashima, E.J. Wang, K. Furukawa, H.X. Li, Y. Luo, Z.G. Shuai, Y. Kashimura, Y.Q. Liu and K. Torimitsu Pure Appl. Chem., 78 (2006) 1803.

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156.

A generalized quantum chemical approach for elastic and inelastic electron transport in molecular electronic devices J. Jiang, M. Kula and Y. Luo J. Chem. Phys. 124 (2006) 034708

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157.

Aggregation-enhanced luminescence and vibronic coupling of silole molecules from first principles S.-W. Yin, Q. Peng, Z. Shuai, W.-H. Fan, Y.-H. Wang and Y. Luo Phys. Rev. B, 73 (2006) 205409

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158.

An elongation method for first principle simulations of electronic structures and transportation properties of finite nanostructures J. Jiang, K. Liu, W. Lu and Y. Luo J. Chem. Phys. 124 (2006) 214711

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159.

Catalysed low temperature H2 release from nitrogen heterocycles A. Moores, M. Poyatos, Y. Luo and R. H. Crabtree New J. Chem. 30 (2006) 1675

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160.

Density functional theory calculations of hydrogen bonding energies of drug molecules L. Bondesson, K. V. Mikkelsen, Y. Luo, P. Garberg and H. Ågren J. Mol. Struct. (THEOCHEM) 776 (2006) 81

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161.

Density Functional Theory Study of Vibronic Structure of the First Absorption Qx Band in Free-Base Porphin B. Minaev, Y.-H. Wang, C.-K. Wang, Y. Luo and H. Ågren Spectrochimica Acta A: Mol. Bio. Spectro. 65 (2006) 308

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162.

Dynamic analysis of multiple-photon optical processes in semiconductor quantum dots Y. Fu, T.-T. Han, Y. Luo and H. Ågren J. Phys.: Condens. Matter, vol.18, p.9071-9082, 2006.

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163.

Effects of Conjugation Length, Electron Donor and Acceptor Strengths on Two-Photon Absorption Cross Sections of Asymmetric Zinc-Porphyrin Derivatives O. Rubio-Pons, Y. Luo and H. Ågren J. Chem. Phys., 124 (2006) 094310

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164.

Effects of hydrogen bonding on the current-voltage characteristics of molecular devices M. Kula, J. Jiang, W. Lu and Y. Luo J. Chem. Phys. 125 (2006) 194703

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165.

Electronic transport properties of molecular bipyridine junctions: Effects of isomer and contact structures Z.L. Li, B. Zou, C. -K. Wang and Y. Luo Phys. Rev. B 73 (2006) 075326

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166.

Electron Transport in Self-assembled Conjugated Polymer Molecular Junctions W. Hu, J. Jiang, H. Nakashima, Y. Luo, K. Chen, Z. Shuai, K. Furukawa, W. Lu, Y. Liu, D. Zhu and K. Torimitsu Phys. Rev. Lett. 96 (2006) 027801

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167.

First-Principles Study of Electrochemical Gate-Controlled Conductance in Molecular Junctions W.-Y. Su, J. Jiang, W. Lu and Y. Luo Nano Lett. 6 (2006) 2091

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168.

Molecular dynamics simulations applied to electric field induced second harmonic generation in dipolar chromophore solutions Y. Tu, Y. Luo and H. Ågren J. Phys. Chem. B \bf 110, 8971 (2006)

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169.

Multi-photon excitation of quantum dots by ultra-short and ultra-intense laser pulses Y. Fu, T.-T. Han, Y. Luo and H. Ågren Appl. Phys. Lett. vol.88, p.221114(3), 2006

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170.

Multiple-photon spectrum of CdS semiconductor quantum dots for bioimaging Y. Fu, Y. Luo and H. Ågren Thin Solid Films, vol.515, p.842-5, 2006.

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171.

Probing molecule-metal bonding in molecular junctions by inelastic electron tunneling spectroscopy M. Kula, J. Jiang and Y. Luo Nano Lett. 6 (2006) 1693

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172.

Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory B. Gao, J. Zhong, L. Song, Z.Y. Wu, S.S. Xie, H.J. Qian, Y.H. Dong and Y. Luo Rad. Phys. Chem. 75 (2006) 1939

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173.

The Electronic Structure of Iron Phthalocyanine probed by means of PES, XAS and DFT calculations J. Å hlund, K. Nilson, J. Schiessling, L. Kjeldgaard, S. Berner, N. M å rtensson, C. Puglia, B. Brena, M. Nyberg and Y. Luo J. Chem. Phys. 125 (2006) 034709

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174.

Theoretical studies on electronic transport properties of six-membered heterocyclic molecules Y. Ma, B. Zou, Z.L. Li, C.K. Wang and Y. Luo Acta Phys. Sinica, 55 (2006) 1974

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175.

Time-dependent DFT calculations of core electron shake-up states of metal-(free)-phthalocyanines B. Brena and Y. Luo Rad. Phys. Chem. 75 (2006) 1578.

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176.

Ultraviolet photoelectron spectroscopy of fullerenes C60 and C70: A model study B. Gao, J. Zhong, L. Liu, H.N. Li, Y. Luo, C.R. Wang and Z.Y. Wu High Energy Phys. Nuclear Phys.-Chinese edition, 30 (2006) 368.

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177.

Can octupolar molecules be poled by an external electric field? Y. Tu, Y. Luo and H. Ågren J. Phys. Chem. B \bf 109,16730 (2005)

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178.

Characterization of the electronic structures of C50Cl10 by means of soft x-ray spectroscopies B. Brena and Y. Luo J. Chem. Phys.. 123 (2005) 244305

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179.

Charge-transfer Zn-porphyrin derivatives with large two-photon absoprtion cross sections at fundamental wavelengths of 1.3 ï¿œ1.5 \mum Y. Luo, O. Rubio-Pons, J.-D. Guo and H. Ågren J. Chem. Phys. 122 (2005) 096101

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180.

Chemical and electronic structures of liquid methanol from X-ray emission spectroscopy and density functional theory S. Kashtanov, A. Augustson, J.-E. Rubensson, J. Nordgren, H. Ågren, J.-H. Guo and Y. Luo Phys. Rev. B 71 (2005) 104205

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181.

Conformation dependence of electronic structures of poly(ethylene oxyde) B. Brena, G. Zhuang, A. Augustsson, J. Nordgren, J.-H Guo, P. N. Ross and Y. Luo J. Phys. Chem. B, 109 (2005) 7907

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182.

Dipolar effects on propagation of ultrashort laser pulse in one-dimensional para-nitroaniline ( pNA) molecules K. Zhao, H.-Y. Li, J.-C. Liu, C.-K. Wang and Y. Luo J. Phys. B: At. Mol. Opt. Phys. 38 (2005) 4235

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183.

Electronic structure of a vapor-deposited metal-free phthalocyanine thin film Y. Alfredsson, B. Brena, K. Nilson, J. Ã hlund, L. Kjeldgaard, M. Nyberg, Y. Luo, N. MÃ¥rtensson, A. Sandell, C. Puglia and H. Siegbahn J. Chem. Phys., 122 (2005) 214723

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184.

Electronic structure of carbon nitride thin films studied by X-ray spectroscopy techniques N. Hellgren, J.-H. Guo, Y. Luo, C. Såthe, A. Agui, S. Kashtanov, J. Nordgren, H. Ågren and J.-E. Sundgren Thin Solid Films, 471 (2005) 19

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185.

Electronic structures and transportation properties of sub-60nm long single-walled carbon nanotubes J. Jiang, W. Lu and Y. Luo Chem. Phys. Lett., 416 (2005) 272

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186.

First-Principles Simulations of Inelastic Electron Tunneling Spectroscopyof Molecular Junctions J. Jiang, M. Kula, W. Lu and Y. Luo Nano Lett. 5 (2005) 1551

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187.

Functional and basis set dependence of K-edge shake-up spectra of molecules B. Brena, S. Carniato and Y. Luo J. Chem. Phys., 122 (2005) 184316

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188.

Hybrid density functional theory calculations of near-edge X-ray absorption fine structures spectra: Applications on benzonitrile gas phase S. Carniato, V. Ilakovac, J. -J. Gallet, E. Kukk and Y. Luo Phys. Rev. A, 71 (2005) 022511

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189.

Making silole photovoltaically active by attaching carbazolyl donor groups to the silolyl acceptor core B. Mi, Y. Dong, Z. Li, J.W.Y. Lam, M. HÀußler, H.H.Y. Sung, H.S. Kwok, Y. Dong, I.D. Williams, Y. Liu, Y. Luo, Z. Shuai, D.B. Zhu and B.Z. Tang Chem. Commun. (2005) 3583

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190.

Modeling non-linear optical effects in guest-host systems H. Ågren, Y. Tu and Y. Luo Chin. Opt. Lett. 3, 17 (2005)

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191.

Multi-photon Absorption of Molecules P. Cronstrand, Y. Luo and H. Ågren Adv. Quantum Chem., 50 (2005) 1

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192.

Nanotubes from isomeric dibenzoylmethane molecule L.Y. Zhao, W.S. Yang, Y. Luo, T. Y. Zhai, G. J. Zhang and J. N. Yao Chem. Euro. J., 11 (2005) 3773

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193.

N-K near edge X-ray absorption fine structures of acetonitrile in gas phase S. Carniato, R. Taieb, E. Kukk, Y. Luo and B. Brena J. Chem. Phys. 123 (2005) 214301.

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194.

Probing through-bond and through-space interactions by means of near-edge X-ray absorption spectroscopy. A theoretical study on non-conjugated diene molecules V. C. Felicissimo, A. Cesar, Y. Luo, F. Gel'mukhanov and H. Ågren J. Phys. Chem. A 109, 7385 (2005)

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195.

Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths W.-Y. Su, J. Jiang and Y. Luo Chem. Phys. Lett., 412 (2005) 406

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196.

Resonant propagation of femtosecond laser pulse in DBASVP molecule: one-dimensional asymmetric organic molecule K. Zhao, J.-C. Liu, C.-K. Wang and Y. Luo Chin. Phys. 14, 2014 (2005)

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197.

Role of differential correlation energy in core ionization of pyrrole and pyridine S. Carniato and Y. Luo J. Elec. Spec. Rel. Phen., 142 (2005) 163

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198.

Single crystalline submicrotubes from small organic molecules Y.S. Zhao, W.S. Yang, D.B. Xiao, X.H. Sheng, X. Yang, Z.G. Shuai, Y. Luo and J. N. Yao Chem. Mater. 17 (2005) 6430

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199.

Solvent effects on vibronic one-photon absorption profiles of dioxaborine heterocycles Y. -H. Wang, C. -K. Wang, M. Halik, S. R. Marder and Y. Luo J. Chem. Phys., 123 (2005) 194311

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200.

Structures, electronic states, photoluminescence, and carrier transport properties of 1,1-disubstituted 2,3,4,5-tetraphenylsiloles G. Yu, S. Yin, Y. Liu, J. Chen, X. Xu, X. Sun, D. Ma, X. Zhan, Q. Peng, Z. Shuai, B. Tang, D. Zhu, W.-H. Fang and Y. Luo J. Am. Chem. Soc. 127 (2005) 6335

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201.

Studies on two-photon absorption cross-sections of 1,4-dimethoxy-2,5-divinyl-benzene derivatives K. Zhao, Y.-H. Sun, C.-K. Wang, Y. Luo, X. Zhang, X.-Q. Yu and M.-H. Jiang ACTA PHYSICA SINICA 54 (2005) 2662.

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202.

The interactions of cations and liquid water studied by resonantly excited soft-x-ray emission spectroscopy J.-H. Guo A. Augustsson J. Nordgren S. Kashtanov Y. Luo J. Elec. Spec. Rel. Phen. 144-147 (2005) 287

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203.

Time-dependent density-functional theory calculations of triplet-triplet absorption P. Cronstrand, Z. Rinkevicius, Y. Luo and H. Ågren J. Chem. Phys. 122 (2005) 224104

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204.

Vibrational contributions to nonlinear optical properties of methanol, ethanol and propanol Y.-H. Wang, C.-K. Wang and Y. Luo THEOCHEM, 717 (2005) 223

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205.

X-ray yield and selectively excited X-ray emission spectra of atenolol and nadolol J. Söderström, J. Gräsjö, S. Kashtanov, C. Bergström, M. Agåker, T. Schmitt, A. Augustsson, L. Duda, J.-H. Guo, J. Nordgren, Y. Luo, P. Artursson and J.-E. Rubensson J. Elec. Spec. Rel. Phen. 144-147 (2005) 283.

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206.

A study of the electronic structure of ethylenedioxythiophene in gasphase using NEXAFS and quantum chemical calculations J. Birgerson, M. Keil, Y. Luo, S. Svensson, H. Ågren and W. R. Salaneck Chem. Phys. Lett. 392 (2004) 100.

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207.

Density functional theory calculations of three-photon absorption P. Cronstrand, B. Jansik, D. Jonsson, Y. Luo and H. Ågren J. Chem. Phys. 121, 9239, (2004)

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208.

Emission rates for electron tunneling from InAs quantum dots to GaAs substrate Y. Fu, O. Engström and Y. Luo J. Appl. Phys. 96, 6477 (2004)

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209.

Equivalent core hole time dependent density functional theory calculations of C1s shake-up states of phthalocyanine B. Brena, Y. Luo, M. Nyberg, S. Carniato, K. Nilsson, Y. Alfredsson, J. Ahlund, N. Mårtensson, H. Siegbahn and C. Puglia Phys. Rev. B, 70, 175214, (2004)

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210.

Few-states models for three-photon absorption P. Cronstrand, P. Norman, Y. Luo and H. Ågren J. Chem. Phys. 121, 2020, (2004)

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211.

Length dependence of coherent electron transportation in metal-alkanedithiol-metal and metal-alkanemonothiol-metal junctions J. Jiang, W. Lu and Y. Luo Chem. Phys. Lett., 400 (2004) 336

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212.

Local structures of liquid water studied by X-ray emission spectroscopy S. Kashtanov, A. Augustsson, Y. Luo, J.-H. Guo, C. Såthe, J.-E. Rubensson, H. Siegbahn, J. Nordgren and H. Ågren Phys. Rev. B, 69, 024201, (2004)

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213.

Molecular ordering in isonicotinic acid on rutile TiO2 (110) investigated with valence band photoemission J. N. O'Shea, J. C. Swarbrick, K. Nilson, C. Puglia, B. Brena, Y. Luo and V. R. Dhanak J. Chem. Phys., 121, 10203, (2004)

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214.

Multidimentional transition state theory calculations for nuclear dynamics of core excited benzonitrile molecule S. Carniato, V. Ilakovac, J.-J. Gallet, E. Kukk and Y. Luo Phys. Rev. A, 70 (2004) 032510

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215.

The molecular structure of alcohol-water mixtures determined by soft-X-ray absorption and emission spectroscopy J. -H. Guo, Y. Luo, A. Augustsson, S. Kashtanov, J. -E. Rubensson, D. Shuh, V. Zhuang, P. Ross, H. Ågren and J. Nordgren J. Electr. Spectra. Rel. Phen. 137-140 (2004) 425

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216.

Theoretical studies on nonlinear optical properties of two newly synthesized compounds: PVPHC and DPVPA Y.-H. Sun, K. Zhao, C.-K. Wang, Y. Luo, Y.-X Yan, X.-T. Tao and M.-H. Jiang Chem. Phys. Lett., 394, 176 (2004)

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217.

The permanent dipole moment of gas phase p-aminobenzoic acid revisited Oscar Rubio-Pons and Y. Luo J. Chem. Phys., 121 ( 2004) 157.

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218.

Two-photon absorption properties of multi-branched bis-(styryl)benzene based organic chromophores Y.-H. Sun, K. Zhao, C.-K. Wang, Y. Luo, Y. Ren, X.-T. Tao and M.-H. Jiang THEOCHEM, 682 (2004) 183

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219.

Ab initio calculations of three-photon absorption P. Cronstrand, Y. Luo, P. Norman and H. Ågren Chem. Phys. Lett., 375 (2003) 233.

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220.

A theoretical study of the photo-oxidation of a fluorene-based two-photon chromophore J.-D. Guo and Y. Luo THEOCHEM 635 (2003) 1

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221.

Calculations of two-photon absorption cross sections by means of density functional theory P. Sałek, O. Vahtras, J.-D. Guo, Y. Luo, T. Helgaker and H. Ågren Chem. Phys. Lett., 374 (2003) 446.

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222.

Characterization of aza-fullerene C58N2 by X-ray spectroscopy S. Kashtanov, O. Rubio-Pons, Y. Luo, H. Ågren, S. Stafström and S. Csillag Chem. Phys. Lett., 371 (2003) 98

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223.

Current-voltage characteristics of single molecular junction: Dimensionality of metal contacts C.-K. Wang and Y. Luo J. Chem. Phys., 119 (2003) 4923

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224.

DNA repair by spore photoproduct lyase: A density functional theory study J.-D. Guo, Y. Luo and F. Himo J. Phys. Chem. B 107, 11188 (2003).

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225.

Electronic structures of azafullerene C48N12 B. Brena and Y. Luo J. Chem. Phys. 119 (2003) 7139

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226.

Electronic transport properties of single molecular junctions based on five-membered heteraromatic molecules Y. Luo, C.-K. Wang and Y. Fu Chem. Phys. Lett., 369, 299, (2003)

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227.

Influence of electron-acceptor strength on the resonant two-photon absorption cross sections of diphenylaminofluorene-based chromophores J.-D. Guo, C.-K. Wang, Y. Luo and H. Ågren Phys. Chem. Chem. Phys. 5 (2003) 3869

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228.

Novel heterocycle-based organic molecules with two-photon induced blue fluorescent emission Z. L. Huang, H. Lei, N. Li, Z.R. Qiu, H.Z. Wang, J.-D. Guo, Y. Luo, Z.P. Zhong and Z. H. Zhou J. Mater. Chem. 13 (2003) 708

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229.

Solvent dependence of solvatochromic shifts and the first hyperpolarizability of para-nitroaniline: a non-monotonic behaviour C.-K. Wang, Y.-H. Wang, Y. Su and Y. Luo J. Chem. Phys. 119 (2003) 4409

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230.

Solvent effects on electronic structrues of a newly synthesized two-photon polymerization initiator C. -K. Wang, K. Zhao, Y. Su, Y. Ren, X. Zhao and Y. Luo J. Chem. Phys., 119 (2003) 1208.

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231.

The molecular structure of alcohol-water mixtures J.-H. Guo, Y. Luo, A. Augustsson, S. Kashtanov, J.-E. Rubensson, D. Shuh, H. Ågren and J. Nordgren. Phys. Rev. Lett. 91 (2003) 157401

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232.

A theoretical study of the Cu 2p and 3s core level XPS spectra of copper phthalocyanine S. Carniato, G. Dufour, Y. Luo and H. Ågren Phys. Rev. B., 66, (2002) 045105

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233.

C70 adsorbed on Cu(111): metallic character and molecular orientation A. Goldoni, C. Cepek, R. Larciprete, L. Sangaletti, S. Pagliara, L. Floreano, R. Gotter, A. Verdini, A. Morgante, Y. Luo and M. Nyberg J. Chem. Phys., 116 (2002) 7685.

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234.

Density functional theory study of the canthaxanthin and other carotenoid radical cations J.-D. Guo, Y. Luo and F. Himo Chem. Phys. Lett., 366, 73 (2002)

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235.

Dynamics of two-photon absorption by molecules and solutions F. Gel'mukhanov, A. Baev, P. Macak, Y. Luo and H. Ågren J. Opt. Soc. Am. B, 19, 5, 937-945. (2002)

---

236.

Effects of chemical and physical modifications on the electronic transport properties of molecular junctions Y. Luo, C.-K. Wang and Y. Fu J. Chem. Phys., 117, 10283 (2002)

---

237.

Effects of dipole alignment and channel interference on two-photon absorption cross sections of two-dimensional charge-transfer systems P. Cronstrand, Y. Luo and H. Ågren J. Chem. Phys., 117, 11102 (2002)

---

238.

First-principle studies of I-V properties of a molecular wire C.-K. Wang, H.-H. Li, Y.D. Li, Y. Luo and Y. Fu Science in China A, 32 (2002) 704

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239.

Generalized few-state models for two-photon absorption of conjugated molecules P. Cronstrand, Y. Luo and H. Ågren Chem. Phys. Lett. 352, 262 (2002).

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240.

General theory for pulse propagation in two-photon active media A. Baev, F. Gel'mukhanov, P. Macak, Y. Luo and H. Ågren J. Chem. Phys. 117, 6214 (2002)

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241.

Identifying isomers of C78 by means of x-ray spectroscopy A. Bassan, M. Nyberg and Y. Luo Phys. Rev. B., 65, (2002) 165402.

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242.

Size,order and dimensional relations for silicon cluster polarizabilities B. Jansik, B. Schimmelpfennig, P. Norman, Y. Mochizuki, Y. Luo and H. Ågren J.Phys.Chem. A, 106, 395, 2002

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243.

Spectroscopic probing of local hydrogen bonding structures in liquid water S. Myneni, Y. Luo, L. Å älund, M. Cavalleri, L. Ojaä, H. Ogasawara, A. Pelmenschikov, Ph. Wernet, P. äerlein, C. Heske, Z. Hussain, L.G.M. Pettersson and A. Nilsson J. Phys. Condens. Matter, 14, L213 (2002)

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244.

Two-photon excitations in molecules. Bookchapter in: Non-linear optical responses of molecules, solids and liquids: Methods and applications. P. Macak, P. Cronstrand, A. Baev, P. Norman, F. Gel'mukhanov, Y. Luo and H. Ågren M .Papadopoulos, editor, Plenum Press (2002)

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245.

X-ray emission spectroscopy of hydrogen bonding and the electronic structures of liquid water J. -H. Guo, Y. Luo, A. Augustsson, J. -E. Rubensson, C. Såthe, H. Ågren, H. Siegbahn and J. Nordgren Phys. Rev. Lett., 89, (2002) 137402.

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246.

Ab initio calculations of structure-to-property relations for two-photon absorption of organic molecules Y. Luo, P. Macak, P. Norman, C.K. Wang and H. Ågren Nonlinear Optics, 27, 33 (2001).

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247.

A quantum chemistry approach for current-voltage characterization of molecular junctions C.-K. Wang, Y. Fu and Y. Luo Phys. Chem. Chem. Phys.,3 (2001)5017

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248.

A theoretical investigation of the near-edge X-ray absorption spectrum of hexa-\sl peri-hexabenzocoronene Y. Luo, H. Ågren, M. Keil, R. Friedlein and W. R. Salaneck Chem. Phys. Lett., 337, 174 (2001) Attached: cpl_bill.pdf

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249.

Bond formation in titanium-fulleride compounds studied through X-ray emission spectroscopy M. Nyberg, Y. Luo, L. Qian, J. E. Rubensson, C. Såthe, D. Ding, J. -H Guo, T. Käämbre and J. Nordgren Phys. Rev. B, 63, 115117 (2001) Attached: prb_c60tiBig.pdf

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250.

Bonding mechanism in organometallic compounds studied by symmetry selective resonant inelastic x-ray scattering L. Qian, M. Nyberg, Y. Luo, J. E. Rubensson, A. V. Talyzine, C. Såthe, D. Ding, J. -H Guo, H. Högberg, T. Käämbre and U. Jansson , J. Nordgren Phys. Rev. B. 63, 085418 (2001) Attached: prb_tic60short.pdf

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251.

Effects of π-centers and symmetry on two-photon absorption cross sections of organic chromophores C. K. Wang, P. Macak, Y. Luo and H. Ågren J. Chem. Phys \bf 114,No 22, 9813 (2001)

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252.

Electronic structure effects from hydrogen bonding in the liquid phase and in chemisorption: an integrated theory and experimental effort L.G.M. Pettersson, A. Nilsson, S. Myneni, Y. Luo, M. Nyberg, M. Cavalleri, L. Ojamäe, L. Å. Näslund, H. Ogasawara, M. Odelius and A. Pelmenschikov J. Synchrotron Rad., 8, 136 (2001) Attached: hb_jsr.pdf

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253.

Hydrogen-bond induced surface core-level shift in isonicotinic acid J. N. O'Shea, J. Schnadt, P. A. Brü hwiler, H. Hillesheimer, N. Må rtensson, L. Patthey, J. Krempasky, C. K. Wang, Y. Luo and H. Ågren J. Phys. Chem. B, 105, 1917 (2001) Attached: jpcB_hb.pdf

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254.

Hydrogen-bond induced surface core-level shift in pyridinecarboxylic acid J. N. O'Shea, Y. Luo, J. Schnadt, L. Patthey, H. Hillesheimer, J. Krempasky, D. Nordlund, M. Nagasono, P. A. Brühwiler and N. Mårtensson Surf. Sci. 486 (2001) 157

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255.

Nitrogen bonding structure in carbon nitride thin films studied by soft x-ray spectroscopy N. Hellgren, J.-E. Sundgren, J.-H., Guo, C. Såthe, A. Agui, J. Nordgren, Y. Luo and H. Ågren Appl. Phys. Lett.,79, 4348 (2001)

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256.

Resonant X-ray Raman scattering from dense gases and solutions F. Gel'mukhanov, A. Baev, Y. Luo and H. Ågren Chem. Phys. Lett. 346, 437 (2001).

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257.

Role of the cavity field in non-linear optical response in the condensed phase R.W. Munn, Y. Luo, P. Macak and H. Ågren J. Chem. Phys., 114, 3105 (2001) Attached: jcp_local.pdf

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258.

Theoretical study of the near-edge Cu L X-ray absorption spectra of copper phthalocyanine S. Carniato, Y. Luo and H. Ågren Phys. Rev. B, 63, 085105 (2001) Attached: prb_cupc.pdf

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259.

Direct experimental measurement of donation / backdonation in unsaturated hydrocarbon bonding to metals. L. Triguero, A. Fölisch, P. Väerlein, J. Hasselstöm, M. Weinelt, L.G.M. Pettersson, Y. Luo, H. Ågren and A. Nilsson J. Am. Chem. Soc, 122. 12310 (2000) Attached: jacs_bensur.pdf

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260.

Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures P.Macak, Y. Luo, P.Norman and H.Ågren J.Chem. Phys. 113, 7062 (2000) Attached: prl.pdf

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261.

Response Theory Calculations of Two-photon Absorption Cross Sections. Y. Luo, P. Norman and H. Ågren Nonlinear Optics, 26, 153 (2000)..

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262.

Semi-classical modeling of medium effects on NLO molecular properties P. Macak, Y. Luo, P. Norman and H. Ågren Non-linear Optics, 25, 172-182 (2000).

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263.

Simulations of vibronic profiles in two-photon absorption P. Macak, Y. Luo and H. Ågren Chem. Phys. Lett., \bf 330, 447-456 (2000) Attached: lincoup.pdf

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264.

Core hole effects in X-ray absorption spectra of fullerenes M. Nyberg, Y. Luo, L. Triguero, L. G.M. Pettersson and H. Ågren Phys. Rev. B 60, 7956 (1999)

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265.

Large two-photon absorption cross sections in two-dimensional charge-transfer, cumulene-containing aromatic molecules P. Norman, Y. Luo and H. Ågren J. Chem. Phys. \bf 111, No 17, 7758-7765 (1999) Attached: tpa3_jcp.pdf

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266.

Nonlinear optical processes of spiroconjugated dimers Y. Luo, P. Norman and H. Ågren Chem. Phys. Letters \bf 303, 616 (1999)

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267.

Resonant soft X-ray emission spectroscopy of surface adsorbates: Theory, computations and measurements of ethylene and benzene on Cu(110) L. Triguero, Y. Luo, L.G.M. Pettersson, H. Ågren, P. Väterlein, M. Weinelt, A. Föhlisch, J. Hasselström, O. Karis and A. Nilsson Phys.Rev.B \bf 59, No 7, 5189-5200 (1999) Attached: surrxis_prb.pdf

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268.

Two-photon absorption of five-membered heteroatomic oligomers: P. Norman, Y. Luo and H. Ågren Opt. Comm. \bf 168, 297 (1999) Attached: tpa2.pdf

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269.

A semi-classical approximation model for static solvent properties Y. Luo, P. Norman and H. Ågren J. Chem. Phys. \bf 109, 3589 (1998)

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270.

Benzene adsorbed on Cu(100): Theoretical X-ray absorption, emission and shake calculations L.G.M. Pettersson, H. Ågren, Y. Luo and L.Triguero Surf.Sci. \bf 408, 1 (1998)

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271.

Calculations of electric field induced second harmonic generation circular dichroism D. Jonsson, Y. Luo, K. Ruud, P. Norman and H. Ågren Chem. Phys. Lett. 288, 371 (1998)

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272.

Dielectric and optical properties of pure liquids by means of \it ab initio reaction field theory Y. Luo, P. Norman, H. Ågren, K.O. Sylvester-Hvid and K.V. Mikkelsen Phys. Rev. E. 57, 4778 (1998)

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273.

Excited state polarizabilities in solution obtained by cubic response theory:Calculations on \it para-, \it ortho-, and \it meta-nitroaniline D. Jonsson, P. Norman, H. Ågren, Y. Luo, K.O. Sylvester-Hvid and K.V. Mikkelsen J. Chem. Phys. \bf 109, 6351 (1998)

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274.

Molecular length dependence of optical properties in hydrocarbon oligomers Y. Luo, P. Norman, K. Ruud and H. Ågren Chem. Phys. Letters 285,160 (1998)

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275.

Nonlinear optical properties of multi-dimensional charge transfer functional groups in ferroelectric liquid crystals Y. Luo, M. Lindgren and H. Ågren Optical Materials 9, 216 (1998)

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276.

Onsager reaction field description of optical properties of octupolar molecules in solution Y. Luo, P. Norman and H. Ågren J. Am. Chem. Soc, 120, 11188 (1998)

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277.

On the scaling law of the second static hyperpolarizabilities of fullerenes Y. Luo Chem. Phys. Lett. 289 (1998) 350.

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278.

Reply to "The hyperpolarizability of trans-butadiene revisited" P. Norman, Y. Luo, D. Jonsson and H. Ågren J. Chem. Phys. \bf 108, 4355 (1998)

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279.

Resonant and nonresonant x-ray scattering spectra of some poly(phenylene)s J.-H. Guo, M. Magnusson, S. Säthe, J. Nordgren, L. Yang, Y. Luo, H. Ågren, K.Z. Xing, N. Johansson, W.R. Salaneck, R. Daik and W.J. Feast J.Chem.Phys. \bf 108, No 14, 5990-5996 (1998)

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280.

Saturation of optical band gap and properties of five-membered heteroaromatic oligomers Y. Luo, K. Ruud, P. Norman, D. Jonsson and H. Ågren J. Phys. Chem. \bf 102, 1710 (1998)

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281.

Some recent developments of high order response theory Y. Luo, D. Jonsson, P. Norman, K. Ruud, O. Vahtras, B. Minaev, H. Ågren, A. Rizzo and K.V. Mikkelsen Int. J. Quant. Chem. \bf 70, 219 (1998)

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282.

Structure-to-property relations for two-photon absorption of hydrocarbon oligomers P. Norman, Y. Luo and H. Ågren Chem. Phys. Lett. \bf 296, 8 (1998)

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283.

The electronic structure of poly(pyridine-2,5-diyl) investigated by soft X-ray absorption and emission spectroscopy L. Yang, J.H. Guo, C. Såthe, A. Agui, J. Nordgren, Y. Luo, H. Ågren, N. Johansson, W.R. Salaneck, L.E. Horsburgh and L.E. Monkman Chem. Phys. 237 (1998) 295

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284.

Vibrational corrections to static and dynamic hyperpolarizabilities of pure liquids. Calculations on methanol P. Norman, Y. Luo and H. Ågren J. Chem. Phys. \bf 109, 3580 (1998)

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285.

Ab initio calculations of the polarizability and the hyperpolarizability of C60 P. Norman, Y. Luo, D. Jonsson and H. Ågren J. Chem. Phys. \bf 106, 8788 (1997)

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286.

Acetonitrile: A critical test case for solvent induced hyperpolarizabilities obtained by the reaction field model P. Norman, Y. Luo and H. Ågren J. Chem. Phys. \bf 107, 9535 (1997)

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287.

Erratum:"Resonant x-ray scattering beyond the Born-Oppenheimer approximation: Symmetry breaking in the oxygen resonant x-ray emission spectrum of carbon dioxide A. Cesar, F. Gel'mukhanov, Y. Luo, H. Ågren, P. Skytt, P. Glans, J. Guo, K. Gunnelin, C. Såthe and J. Nordgren J.Chem.Phys. 107, No 7, 2699-2699 (1997)

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288.

Hyperpolarizability depolarization ratios of nitroanilines P. Norman, Y. Luo, D. Jonsson, H. Ågren, K.O. Sylvester-Hvid and K.V. Mikkelsen J. Chem. Phys. \bf 107, 9063 (1997)

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289.

Resonant x-ray scattering beyond the Born-Oppenheimer approximation: Symmetry breaking in the oxygen resonant x-ray emission spectrum of carbon dioxide. A. Cesar, F. Gel'mukhanov, Y. Luo, H. Ågren, P. Skytt, P. Glans, J. Guo, K. Gunnelin, C. Såthe and J. Nordgren J.Chem.Phys. 106, No 9, 3439-3456 (1997)

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290.

Role of screening and angular distribution in resonant x-ray emission of CO P. Skytt, P. Glans, K. Gunnelin, J.-J. Guo, J. Nordgren, Y. Luo and H. Ågren Phys.Rev.A \bf 55, 134-145 (1997)

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291.

Self-consistent field calculations of X-ray emission spectra of surface adsorbates and polymers H. Ågren, L. G.M. Pettersson, V. Carravetta, Y. Luo, L. Yang and O. Vahtras J. Phys. IV 7 (1997) C2-515

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292.

Simulations of resonant X-ray emission spectra of molecules. H. Ågren, Y. Luo and F. Gel'mukhanov Appl.Phys. A \bf 65, 115-122 (1997)

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293.

The hyperpolarizability of \it trans-butadiene. A critical test case of quantum chemical models P. Norman, Y. Luo, D. Jonsson and H. Ågren J. Chem. Phys. \bf 106, 1827 (1997)

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294.

Theory of natural circular dichroism in x-ray Raman scattering from molecules Y. Luo, O. Vahtras, F. Gel'mukhanov and H. Ågren Phys.Rev. \bf A55, No 4, 2716-2722 (1997)

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295.

Unique determination of the cavity radius in Onsager reaction field theory Y. Luo, H. Ågren and K. V. Mikkelsen Chem. Phys. Lett. \bf 275, 145 (1997)

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296.

Ground and excited states hyperpolarizabilities of cis-, trans- and diphenyl- polyenes Y. Luo, P. Norman, D. Jonsson and H. Ågren Mol. Phys. \bf 89, 1409 (1996)

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297.

Polarization anisotropy in resonant x-ray emission from molecules Y. Luo, H. Ågren and F. Gel'mukhanov Phys.Rev. \bf A53, No 3, 1340-1348 (1996)

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298.

Quenching of Symmetry Breaking in Resonant Inelastic X-ray scattering by Detuned Excitation A. Cesar, F. Gel'mukhanov, Y. Luo, H. Ågren, P. Skytt, P. Glans, J. Guo, K. Gunnelin, C. Såthe and J. Nordgren Phys.Rev.Lett. 77, No 25, 5035-5038 (1996)

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299.

Response theory for static and dynamic polarizabilities of excited states D. Jonsson, P. Norman, Y. Luo and H. Ågren J. Chem. Phys. \bf 105, 581 (1996)

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300.

Screening in resonant X-ray emission of molecules H. Ågren, Y. Luo, F. Gel'mukhanov and H.J. Aa. Jensen J.Electr.Spectr.Rel.Phen.\bf 82, No 1/2, 125-134 (1996)

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301.

The hyperpolarizability of the tricyanomethanide ion in solution Y. Luo, A. Cesar and H. Ågren Chem. Phys. Letters 252, 384 ( Erratum 257, 681 ) (1996)

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302.

Probing symmetry breaking upon core excitation with resonant x-ray fluorescence P. Skytt, J. Guo, N. Wassdahl, J. Nordgren, Y. Luo and H. Ågren Phys.Rev.A \bf 52, 3572-3576 (1995)

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303.

Random-phase calculations of frequency dependent polarizabilities and hyperpolarizabilities of long polyene chains Y. Luo, H. Ågren, H. Koch, P. Jørgensen and T. Helgaker Phys. Rev. B \bf 51, 14949 (1995)

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304.

Resonant and non-resonant X-ray scattering from C70 J. Guo, P. Skytt, N. Wassdahl, J. Nordgren, Y. Luo, O. Vahtras and H. Ågren Chem. Phys. Lett. \bf 235, 152 (1995)

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305.

Response theory and calculations of molecular hyperpolarizabilities Y. Luo, H. Ågren, K. Mikkelsen and P. Jørgensen Adv. Quant. Chem. \bf 26, 165 (1995)

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306.

Sign change of the hyperpolarizabilities of solvated water K. V. Mikkelsen, Y. Luo, H. Ågren and P. Jørgensen J. Chem. Phys. \bf 102, 9362 (1995)

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307.

Size dependency of soft X-ray emission spectra. Calculations of finite polyenes and polyacetylene. Y. Luo, C.-M. Liegener and H. Ågren. Chem. Phys. Lett. 233, 123 (1995)

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308.

Sub-eV chemical shifts and strong interference effects measured in the resonance x-ray scattering spectra of aniline Y. Luo, H. Ågren, J. Guo, P. Skytt, N. Wassdahl and J. Nordgren Phys.Rev.A \bf 52, 3730-3736 (1995)

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309.

Symmetry assignments of occupied and unoccupied molecular orbitals through spectra of polarized resonance inelastic x-ray scattering Y. Luo, H. Ågren and F. Gel'mukhanov J.Phys.B:At.Mol.Opt.Phys. \bf 27,4169-4180 (1995)

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310.

Symmetry selective resonant inelastic x-ray scattering H. Ågren, Y. Luo, F. Gel'mukhanov, J. Guo, P. Skytt, N. Wassdahl and J. Nordgren Physica B, \bf 208-209,105-107 (1995)

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311.

Symmetry-selective resonant inelastic x-ray scattering of C60 Y. Luo, H. Ågren, F. Gel'mukhanov, J. Guo, P. Skytt, N. Wassdahl and and J. Nordgren Phys.Rev. \bf B52, No 20, 14479-14496 (1995)

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312.

The hyperpolarizability of molecular oxygen Y. Luo, H. Ågren and P. Jörgensen THEOCHEM.\bf 336, 61 (1995)

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313.

\it Ab initio calculations of X-ray emission spectrum of C60 J.H. Guo, Y. Luo, O. Vahtras, P. Skytt, N. Wassdahl and J. Nordgren Chem. Phys. Letters 227, 98 (1994)

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314.

One- and two-photon absorption spectra of short conjugated polyenes Y. Luo, H. Ågren and S. Stafström J. Phys. Chem. \bf 98, 7782 (1994)

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315.

Solvent induced polarizabilities and hyperpolarizabilities of para-nitroaniline K. V. Mikkelsen, Y. Luo, H. Ågren and P. Jørgensen J. Chem. Phys. \bf 100, 8240 (1994)

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316.

X-ray emission spectroscopy measured of fluorine substituted methanes P. Glans, R.E. La Villa, Y. Luo, H. Ågren and J. Nordgren J.Phys.B:At.Mol.Opt.Phys. \bf 27, 3399-3414 (1994)

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317.

Accurate photoionization cross sections in diatomic molecules studied by multi-configuration linear response theory V. Carravetta, Y. Luo and H. Ågren Chem. Phys. 174, 141 (1993)

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318.

Dipole hyperpolarizability surfaces of ammonia V. Spirko, Y. Luo, H. Ågren and P. Jørgensen J. Chem. Phys. \bf 99, 7331 (1993)

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319.

Frequency dependent polarizabilities and first hyperpolarizabilities of H2O Y. Luo, H. Ågren, O. Vahtras, P. Jørgensen, V. Spirko and H. Hettema J. Chem. Phys. \bf 98, 7159 (1993)

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320.

Frequency dependent polarizabilities and second hyperpolarizabilities of N2 Y. Luo, H. Ågren, O. Vahtras and P. Jørgensen Chem. Phys. Lett. \bf 205, 555 (1993)

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321.

Multi-configuration quadratic response calculations of two-photon electronic transition probabilities of H2O Y. Luo, H. Ågren, O. Vahtras and P. Jørgensen Chem. Phys. Letters \bf 204, 587 (1993)

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322.

Response theory calculations of the vibronically induced 1A1g -1B2u two-photon spectrum of benzene Y. Luo, H. Ågren, S. Knuts, B.F. Minaev and Jørgensen Chem. Phys.Letters \bf 209, 513 (1993)

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323.

The hyperpolarizability dispersion of para-nitroaniline Y. Luo, H. Ågren, O. Vahtras and P. Jørgensen Chem. Phys. Letters \bf 207, 190 (1993)

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324.

The two-photon spectrum of pyrimidine. Role of vibronic coupling Y. Luo, H. Ågren, S. Knuts and P. Jørgensen Chem. Phys. Letters \bf 213, 356 (1993)

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