1.

Interference of resonant with non-resonant inelastic x-ray scattering in the sub-keg region Y.-P. Sun, Q. Miao, A. Pietzsch, F. Hennies, T. Schmitt, V. N. Strocov, J. Andersson, B. Kennedy, J. Schlappa, A. Föhlisch, F. Gel’mukhanov and J.-E. Rubensson Physical Review Letters, 00, 000 (2013)

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2.

Single-Molecule X-Ray Interferometry: Controlling Coupled Electron-Nuclear Quantum Dynamics and Imaging Molecular Potentials by Ultrahigh-Resolution Resonant Photoemission and Ab Initio Calculations V. Kimberg, A. Lindblad, J. Söderström, O. Travnikova, C. Nicolas, Y. P. Sun, F. Gel’mukhanov, N. Kosugi and C. Miron Physical Review X, vol.3, 011017 (2013) DOI: 10.1103/PhysRevX.3.011017

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3.

Dissociative X-ray Lasing Q. Miao, J.-C. Liu, H. Ågren, J.-E. Rubensson and F. Gel’mukhanov Phys. Rev. Lett. 109, 233905 (2012) DOI: 10.1103/PhysRevLett.109.233905

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4.

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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5.

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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6.

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

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7.

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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8.

Imaging molecular potentials using ultrahigh resolution resonant photoemission C.Miron, C.Nicolas, O.Travnikova, P.Morin, Y.-P.Sun, F.Gel’mukhanov, N.Kosugi and V.Kimberg Nature Physics 8,135 (2012) DOI: DOI:10.1038/NPHYS2159

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9.

Raman scattering at resonant or near-resonant conditions: A generalized short-time approximation A. Mohammed, Y.-P. Sun, Q.Miao, H. Ågren and F.Gel’mukhanov Chin.J.Chem.Phys. 25,31-47 (2012) DOI: DOI:10.1088/1674-0068/25/01/31-47

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10.

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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11.

Theoretical study of two Ih-symmetry-breaking C60 isomers and their chlorinated species in core-excited and ground states J. Qi, W. Hua and B. Gao , Chem. Phys. Lett., 539-540 (2012) 222-228 DOI: 10.1016/j.cplett.2012.05.015

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12.

Thomson-resonant interference effects in elastic x-ray scattering near the Cl K edge of HCl S. Carniato, P. Selles, L. Journel, R. Guillemin, W. C. Stolte, L. El Khoury, T. Marin, F. Gel'mukhanov, D. W. Lindle and M. Simon J. Chem. Phys. 137, 094311 (2012) DOI: http://dx.doi.org/10.1063/1.4749574

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13.

Vibrational Scattering Anisotropy in O2 – driving nuclear dynamics through inter-channel interference A. Lindblad, Kimberg, J. Söderström, C. Nicolas, O. Travnikova, N. Kosugi, F. Gel’mukhanov and C. Miron New J. Phys. 14, 113018 (2012) DOI: 10.1088/1367-2630/14/11/113018

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14.

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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15.

Complex polarization propagator approach in the restricted open-shell self-consistent field approximation: The near K-edge X-ray absorption fine structure spectra of allyl and copper phthalocyanine M. Linares, S. Stafström, Z. Rinkevicius, H. Ågren and P. Norman J. Phys. Chem. B, 115, 5096 (2011)

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16.

Internal symmetry and selection rules in resonant inelastic soft x-ray scattering Y.-P. Sun, A. Pietzsch, F. Hennies, Z. Rinkevicius, H.O. Karlsson, T. Schmitt, V.N. Strocov, J. Andersson, B. Kennedy, J. Schlappa, A. Föhlisch, F. Gel'mukhanov and J-E Rubensson JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 44,161002 (2011) DOI: 10.1088/0953-4075/44/16/161002

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17.

Intramolecular Soft Modes and Intermolecular Interactions in Liquid Acetone Y.-P. Sun, F. Hennies, ...F. Gel'mukhanov and ...A. Foehlisch Phys.B, 84, 132202 (2011) DOI: 10.1103/PhysRevB.84.132202

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18.

Multimode Resonant Auger Scattering from the Ethene Molecule J.-C. Liu, C. Nicolas, Y.-P. Sun, R. Flammini, P. O'eeffe, L. Avaldi, P. orin, V. Kimberg, N. Kosugi, F. Gel'mukhanov and C. Miron J. Phys. Chem. B 115, 5103-5112 (2011) DOI: 10.1021/jp104228x

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19.

Relativistic contributions to single and double core electron ionization energies of noble gases J. Niskanen, P. Norman, H. Aksela and H. Ågren J. Chem. Phys. 135, 054310 (2011) DOI: 10.1063/1.3621833

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20.

Spatial Quantum Beats in Vibrational Resonant Inelastic Soft X-Ray Scattering at Dissociating States in Oxygen A. Pietzsch, Y.-P. Sun, F. Hennies, Z. Rinkevicius, H. O. Karlsson, T. Schmitt, V. N. Strocov, J. Andersson, B. Kennedy, J. Schlappa7, A. Föhlisch, J.-E. Rubensson and F. Gel'mukhanov Phys. Rev. Lett. 106, 153004 (2011) DOI: 10.1103/PhysRevLett.106.153004

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21.

Thomson-resonant interference effects in elastic X-ray scattering near the Cl K edge of HCl S. Carniato, P. Selles and F. Gel'mukhanov Chem. Phys. Lett.000,000 (2011)

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22.

Auger effect in the presence of strong x-ray pulses J.-C. Liu, Y.-P. Sun, C.-K. Wang, H. Ågren and F. Gel’mukhanov Phys Rev A 81, 043412 (2010) DOI: 10.1103/PhysRevA.81.043412

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23.

Circularly Polarized X Rays: Another Probe of Ultrafast Molecular Decay Dynamics O. Travnikova, J.-C. Liu, A. Lindblad, C. Nicolas, J. Söderström, V. Kimberg, F. Gel'mukhanov and C. Miron Phys. Rev. Lett. 105, 233001 (2010) DOI: 10.1103/PhysRevLett.105.233001

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24.

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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25.

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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26.

Propagation of a strong x-ray pulse: Pulse compression, stimulated Raman scattering, amplified spontaneous emission, lasing without inversion, and four-wave mixing Y.-P. Sun, J.-C. Liu, C.-K. Wang and F. Gel'mukhanov Phys. Rev. A, 81, 013812 (2010) DOI: 10.1103/PhysRevA.81.013812

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27.

Recoil splitting of x-ray-induced optical fluorescence S. Gavrilyuk, Y.-P. Sun, S. Levin, H. Ågren and F. Gel'mukhanov Phys Rev A 81, 035401 (2010) DOI: 10.1103/PhysRevA.81.035401

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28.

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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29.

Resonant X-ray Raman scattering on molecules: A benchmark study on HCl S. Carniato, R. Taïeb, L. Journel, R. Guillemin, W.C. Stolte, D. W. Lindle, F. Gel'mukhanov and M. Simon J. Electron. Spectrosc. Relat. Phenom. 181, 116 (2010) DOI: 10.1016/j.elspec.2010.02.013

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30.

Rotational Doppler effect in x-ray photoionization Y.-P. Sun, C.-K. Wang and F. Gel'mukhanov Phys. Rev. A 82, 052506 (2010) DOI: 10.1103/PhysRevA.82.052506

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31.

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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32.

Two-photon-induced x-ray emission in neon atoms Y.-P. Sun, Z. Rinkevicius, C.-K. Wang, S. Carniato, M. Simon, R. Taïeb and F. Gel'mukhanov Phys. Rev. A 82, 043430 (2010) DOI: 10.1103/PhysRevA.82.043430

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33.

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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34.

Valence photoionization of LiCl clusters J. Niskanen, S. Urpelainen, S. Aksela, H. Aksela, O. Vahtras, V. Carravetta and H. Agren Phys. Rev. A 81, 043401 (2010)

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35.

Vibrational Scattering Anisotropy Generated by Multichannel Quantum Interference C. Miron, V. Kimberg, P. Morin, C. Nicolas, N. Kosugi, S. Gavrilyuk and F. Gel'mukhanov Phys. Rev. Lett. 105, 093002 (2010) DOI: 10.1103/PhysRevLett.105.093002

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36.

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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37.

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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38.

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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39.

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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40.

High resolution X-ray photoelectron spectroscopy on nitrogen molecules K. Ueda, R. Püttner, N.A. Cherepkov, F. Gel'mukhanov and M. Ehara Eur. Phys. J. Special Topics 169 (2009) 95-107 DOI: 10.1140/epjst/e2009-00978-7

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41.

Origin of fine structures on the dissociative 1s \rightarrow σ* resonance in X-ray absorption spectra of O2 Y. Velkov, V. Kimberg, N. Kosugi, P. Sałek and F. Gel'mukhanov Chem. Phys. Lett. 476 (2009) 147 DOI: doi:10.1016/j.cplett.2009.06.016

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42.

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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43.

Photoelectron-recoil-induced rotational excitation of the B2Σ+u state in N+u T. D. Thomas, E. Kukk, ..., S. Gavrilyuk, F. Gel'mukhanov and ... Phys. Rev. A 79, 022506 (2009) DOI: 10.1103/PhysRevA.79.022506

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44.

Pressure dependence of crystal structure and molecular packing in anthracene N. Arul Murugan and P.C. Jha Molecular Physics, 107:16, 1689 (2009)

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45.

Slowdown and compression of s strong X-ray free-electron pulse propagating through Mg vapors Y.-P. Sun, J.-C. Liu and F. Gel'mukhanov Europhysics. Letters, 87 (2009) 64002 DOI: 10.1209/0295-5075/87/64002

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46.

Theoretical studies of angle-resolved ion yield spectra of core-to-valence transitions of acetylene V. Kimberg, N. Kosugi and F. Gel'mukhanov J. Chem. Phys. 130, 114302 (2009) DOI: 10.1063/1.3089226

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47.

The propagation of a strong x-ray pulse followed by pulse slowdown and compression, amplified spontaneous emission ans lasing without inversion Y.-P. Sun, J.-C. Liu and F. Gel'mukhanov J. Phys. B: At. Mol. Opt. Phys. 42 (2009) 201001 (5pp) DOI: 10.1088/0953-4075/42/20/201001

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48.

X-ray-absorption spectroscopy beyond the natural width measured in partial Auger yield mode Y. Velkov, Y. Hikosaka, E. Shigemasa, T. Kaneyasu, Y. Tamenori, J.-C. Liu and F. Gel'mukhanov Phys. Rev. A \bf 79, 022508 (2009) DOI: 10.1103/PhysRevA.79.022508

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49.

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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50.

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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51.

Investigations into conformational transitions and solvation structure of a 7-piperidino-5,9-methanobenzo[8] annulene in water. N. Arul Murugan and Håkan W. Hugosson PCCP,10,6135(2008) DOI: 10.1039/b805505j

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52.

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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53.

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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54.

Resonant inelastic X-ray Raman scattering induced by Rabi flopping of core holes J.-C. Liu, Y. Velkov, Z. Rinkevicius and F. Gel'mukhanov Chem. Phys. Lett. 453 (2008) 117 DOI: 10.1016/j.cplett.2008.01.023

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55.

Single-photon core-valence double ionization of molecular oxygen E. Andersson, M. Stenrup, J. H. D. Eland, L. Hedin, M. Berglund, L. Karlsson, Å. Larson, H. Ågren, J.-E. Rubensson and R. Feifel Phys. Rev. A 78, 023409 (2008) DOI: 10.1103/PhysRevA.78.023409

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56.

Symmetry-forbidden x-ray Raman scattering induced by a strong infrared-laser field J.-C. Liu, Y. Velkov, Z. Rinkevicius, H. Ågren and F. Gel'mukhanov Phys Rev A 77, 043405 (2008) DOI: 10.1103/PhysRevA.77.043405

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57.

The C 1s and N 1s NEXAFS spectra of five azabenzenes in the gas phase G. Vall-llosera, B. Gao, M. Coreno, A. Kivimäki, M. de Simone, H. Ågren and E. Rachlew J. Chem. Phys. 128 (2008) 044316

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58.

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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59.

X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s\rightarrow σ* resonance: Experiment and theory R. Feifel, Y. Velkov, .. F. Gel'mukhanov, L. Sorensen, M.N. Piancastelli, A. de Fanis, K. Okada, M. Kitayama, T. Tanaka, H.Tanaka and K. Ueda , J. Chem. Phys., 128, 064304 (2008) DOI: 10.1063/1.2831920

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60.

X-ray Absorption and Resonant Auger spectroscopy of O2 in the vicinity of the O1s → σ* resonance: Experiment and Theory R. Feifel, Y. Velkov, V. Carravetta, C. Angeli, R. Cimiraglia, P. Sałek, F. Gel’mukhanov, S. L. Sorensen, M. N. Piancastelli, A. De Fanis, K. Okada, M. Kitajima, T. Tanaka, H. Tanaka and K. Ueda J. Chem. Phys. \bf 128, 064304 (2008) DOI: 10.1063/1.2831920

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61.

X-Ray Absorption Measured in the Resonant Auger Scattering Mode Y. Hikosaka, Y. Velkov, E. Shigemasa, T. Kaneyasu, Y. Tamenori, J.-C. Liu and F. Gel'mukhanov Phys. Rev. Lett. \bf 101, 073001 (2008) DOI: 10.1103/PhysRevLett.101.073001

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62.

X-ray absorption of N2 accompanied by infrared-induced transitions between the ungerade and gerade core levels Y. Velkov, J.-C. Liu, C.-K. Wang and F. Gel'mukhanov J. Phys. B: At. Mol. Opt. Phys. 41 (2008) 145601. DOI: 10.1088/0953-4075/41/14/145601

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63.

X-ray absorption spectroscopy measured in resonant X-ray scattering mode: How unnatural is the resolution beyond the natural width? Y. Velkov, Y. Hikosaka, E. Shigemasa, S. Gavrilyuk and F. Gel'mukhanov Chem. Phys. Lett. 465, 153-156 (2008) DOI: 10.1016/j.cplett.2008.09.067

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64.

Charge exchange following the Auger electron emission from O-2 G. Prumper, X.J. Liu, T. Lischke, T. Tanaka, M. Hoshino, F. Gel'mukhanov and K. Ueda J. Electron. Spectrosc. Relat. Phenom., \bf 156 LXV-LXVI (2007).

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65.

Core ionization potentials from self-interaction corrected Kohn-Sham orbital energies Guangde Tu, Vincenzo Carravetta, O. Vahtras and H. Ågren J. Chem. Phys. 127, 174110 (2007)

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66.

Dynamic Interpretation of Resonant Inelastic X-ray Scattering: Ethylene and Benzene F. Hennies, S. Polyutov, I. Minkov, A. Pietzsch, M. Nagasono, F. Gel'mukhanov, L. Triguero, M.-N. Piancastelli, W. Wurth, H. Ågren and A. Föhlisch Phys. Rev. A 76, 032505 (2007)

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67.

Effects due to interadsorbate interactions on the dipeptide/TiO2 surface binding mechanism investigated by molecular dynamics simulations S. Monti, V. Carravetta, W.-H. Zhang and J.-L. Yang J. Phys. Chem. C 111 (2007) 7765.

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68.

Elastic peak of K shell excited HCl molecule: comparison HCl-DCl: experiment and theory M. Simon, L. Journel, R. Guillemin, W. C. Stolte, I. Minkov, F. Gel'mukhanov, P. Sałek, H. Ågren, S. Carniato, R. Taïeb, A. C. Hudson and D. W. Lindle J. Electron Spectrosc. Relat. Phenom., \bf 155, 91 (2007)

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69.

Electronic Doppler effect in resonant Auger decay of CO molecules upon excitation near a shake-up Π resonance S. L. Sorensen, M. Kitajima, T. Tanaka, M. Hoshino, H. Tanaka, Y. Tamenori, R. Sankari, M. N. Piancastelli, K. Ueda, Y. Velkov, I. Minkov, V. Carravetta and F. Gel'mukhanov Phys Rev A 76, 062704 (2007) DOI: 10.1103/PhysRevA.76.062704

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70.

K-L resonant X-ray Raman scattering as a tool for potential energy surface mapping S. Carniato, R.Taieb, R. Guillemin, L. Journel, M. Simon and F. Gel'mukhanov Chem. Phys. Lett., \bf 439 (4-6), 402-406 (2007).

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71.

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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72.

Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra Guangde Tu, Z. Rinkevicius, O. Vahtras, H. Ågren, U. Ekström, P. Norman and Vincenzo Carravetta Phys. Rev. A 76, 022506 (2007)

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73.

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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74.

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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75.

Theory of resonant inelastic X-ray scattering (RIXS) spectra F. Gel'mukhanov J. Electron. Spectrosc. Relat. Phenom.,\bf 156 XXI-XXI (2007).

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76.

Ultrafast nuclear motion in Cl 1s core-excited HCl and DCl probed by resonant inelastic X-ray scattering: Experiment and theory L. Journel, R. Guillemin, W.C. Stolte, S. Carniato, R. Taieb, I. Minkov, F. Gel'mukhanov, P. Sałek, H. Ågren, A. Hudson, D.W. Lindle and M. Simon J. Electron. Spectrosc. Relat. Phenom., \bf 156 XLIV-XLIV (2007).

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77.

Young's double-slit experiment using core-level photoemission from N2 G. Prumper, X.J. Liu, T. Lischke, T. Tanaka, H.Tanaka, M. Hoshino, S.K. Semenov, N.A. Cherepkov. V. Kimberg, F. Gel'mukhanov and K. Ueda J. Electron. Spectrosc. Relat. Phenom., \bf 156 LXVI-LXVI (2007).

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78.

Young's double-slit experiment using two-center core-level photoemission X, J, Liu, G. Prumper, F. Gel'mukhanov, N. Cherepkov, H. Tanaka and K. Ueda J. Electron. Spectrosc. Relat. Phenom.,\bf 156 XXXIII-XXXIII (2007).

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79.

Young's double-slit experiment using two-center core-level photoemission: photoelectron recoil effects F. Gel'mukhanov, V. Kimberg, X.-J. Liu, G. Prümper, T. Tanaka, M. Hoshino, H. Tanaka and K. Ueda J. Electron Spectrosc. Relat. Phenom., 156-158, 265 (2007)

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80.

Young's double-slit experiment using two-center core-level photoemission: photoelectron scattering effects X.-J. Liu, G. Prümper, F. Gel'mukhanov, N.A. Cherepkov, H. Tanaka and K. Ueda J. Electron Spectrosc. Relat. Phenom., 156-158, 73 (2007)

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81.

A polarization propagator for X-ray spectra U. Ekstrom, P. Norman, V. Carravetta and H. Ågren Phys. Rev. Letters, 97, 143001 (2006).

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82.

Femtosecond nuclear motion of HCl probed by resonant x-ray Raman scattering in the Cl 1s region. M. Simon, L. Journel, R. Guillemin, W. C. Stolte, I. Minkov, F. Gel'mukhanov, P. Sałek, H. Ågren, S. Carniato, R. Taib, A. C. Hudson and D. W. Lindle Phys. Rev. A 73, 020706(R) (2006)

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83.

Interference modulation in the vibrationally resolved photoionization of the 1 sigma(g) and 1 sigma(u) core levels of the N-2 molecule Semenov SK, Cherepkov NA, Matsumoto M, Hatamoto T, Liu XJ, Prümper G, Tanaka T, Hoashino M, Tanaka H, Gel'mukhanov F and Ueda K J. Phys. B: At.Mol.Opt.Phys. 39, L261-L267 (2006)

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84.

Ion-pair formation in electron recombination with H3+ Å. Larson, J. Roos and A. E. Orel Phil Trans. R. Soc. A 364 2999 (2006) Attached: h3ionpfinal2.pdf

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85.

Origin invariant approaches to the calculation of two-photon circular dichroism A. Rizzo, B. Jans\ík, A. Rizzo, T. Bondo-Pedersen and H. Ågren J. Chem. Phys., 125, 064113 (2006)

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86.

Phase sensitive wave packet dynamics caused by break down of rotating wave approximation. V. Kimberg, F. F. Guimaraes, V.C. Felicissimo and F. Gel'mukhanov Phys. Rev. A 73, 023409 (2006)

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87.

Proton Transfer Mediated by the Vibronic Coupling in Oxygen Core Ionized States of Glyoxalmonoxime Studied by Infrared-X-ray Pump-Probe Spectroscopy V. C. Felicissimo, F. F. Guimaraes, A. Cesar, F. Gel'mukhanov and H. Ågren J. Phys. Chem. A. 110, 12805-12813. (2006)

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88.

Pump-probe spectroscopy of molecules driven by infrared field in both ground and excited electronic states F. F. Guimaraes and F. Gel'mukhanov J. Chem. Phys. 125, 204313 (2006)

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89.

Renner-Teller effects in HCO+ dissociative recombination I. A. Mikhaylov, V. Kokoouline, Å. Larson, S. Tonzani and C. H. Greene Phys. Rev. A, 74 032707 (2006) Attached: Mikhailov_Kokoouline_Larson_Tonzani_Greene_PRA.pdf

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90.

Resonant LII,III x-ray Raman scattering from HCl C. Såthe, F. F. Guimaraes, J.-E. Rubensson, J. Nordgren, A. Agui, J. Guo, U. Ekström, P. Norman, F. Gel'mukhanov and H. Ågren Phys. Rev. A 74, 062512 (2006)

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91.

Role of recoil effect in two-center interference in X-ray photoionization K. Ueda, X.-J. Liu, G. Prümper, T. Lischke, T. Tanaka, M. Hoshino, H. Tanaka, I. Minkov, V. Kimberg and F. Gel'mukhanov Chem. Phys. 329, 329-337 (2006)

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92.

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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93.

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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94.

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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95.

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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96.

Young's double-slit experiment using core-level photoemission from N-2: revisiting Cohen-Fano's two-centre interference phenomenon Liu XJ, Cherepkov NA, Semenov SK, Kimberg V, Gel'mukhanov F, Prüumper G, Lischke T, Tanaka T, Hoshino M, Tanaka H and Ueda K J. Phys.B: At. Mol. Opt. Phys., 39, 4801-4817 (2006)

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97.

Ab initio study of the two-photon circular dichroism in chiral natural aminoacids B. Jansik, A. Rizzo and H. Ågren J. Phys. Chem. B, 111, 446, (2007) (2005)

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98.

A theoretical study of the role of the hydrogen bond on core ionization of the water dimer V.C. Felicissimo, I. Minkov, F.F. Guimaraes, F. Gel'mukhanov, A. Cesar and H. Ågren Chem. Phys. 312, 311 (2005)

---

99.

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

---

100.

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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101.

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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102.

Core-excitations of biphenyl I. Minkov, F. Gel'mukhanov, R. Friedlein, C. Suess, W.R. Salaneck and H. Ågren J. Phys. Chem A, 109 (2005) 1330.

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103.

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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104.

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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105.

Enhancement of the recoil effect in x-ray photoelectron spectra of molecules driven by strong IR field V. C. Felicissimo, F. F. Guimaraes and F. Gel'mukhanov Phys. Rev. A 72, 023414 (2005)

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106.

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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107.

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

---

108.

Infrared--x-ray pump-probe spectroscopy of the NO molecule F. F. Guimaraes, V. Kimberg, V. C. Felicissimo, F. Gel'mukhanov, A. Cesar and H. Ågren Phys. Rev. A 72, 012714 (2005)

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109.

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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110.

Non-Adiabatic Effects in Resonant Inelastic X-ray Scattering F. Hennies, S. Polyutov, I. Minkov, A. Pietzsch, M. Nagasono, F. Gel'mukhanov, L. Triguero, M.-N. Piancastelli, W. Wurth, H. Ågren and A. Föhlisch Phys. Rev. Lett. 95, 163002 (2005)

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111.

Phase sensitive X-ray absorption driven by strong infrared fields F. F. Guimaraes, V. Kimberg, V. C. Felicissimo, F. Gel'mukhanov, A. Cesar and H. Ågren Phys. Rev. A 71, 043407 (2005)

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112.

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)

---

113.

Quantum wave packet revivals in IR + X-ray pump-probe spectroscopy F. F. Guimaraes, F. Gel'mukhanov, A. Cesar and H. Ågren Chem. Phys. Lett. 405, 398 (2005)

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114.

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

---

115.

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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116.

The principles of IR - X-ray pump-probe spectroscopy. Applications on proton transfer in core ionized water dimers. V. C. Felicissimo, F. F. Guimaraes, F. Gel'mukhanov, A. Cesar and H. Ågren J. Chem. Phys. 122, 094319 (2005)

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117.

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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118.

Ab initio study of the ground state properties of molecular oxygen B.F. Minaev Spectrochimica Acta. Prat A, 60, (2004) 1027-1041

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119.

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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120.

Core-excitations of naphthalene: Vibrational structure versus chemical shifts I. Minkov, F. Gel'mukhanov, R. Friedlein, W. Osikowicz, C. Suess, G. Öhrwall, S.L. Sorensen, S. Braun, R. Murdey, W.R. Salaneck and H. Ågren J. Chem. Phys. 121 (2004) 5733

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121.

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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122.

Generalization of the duration time concept for interpreting ultra-high resolution resonant photoemission spectra. R. Feifel, A. Baev, F. Gel'mukhanov, H. Ågren, M. N. Piancastelli, M. Andersson, G. Örwall, C. Miron, S. L. Sorensen, A. Naves de Brito, O. Bjorneholm, L. Karlsson and S. Svensson Phys. Rev. A 69, 022707 (2004)

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123.

Interchannel interference in resonant Auger scattering from fixed-in-space molecules as a new technique for structure determination. F. Gel'mukhanov and I. Minkov Phys. Rev. A 70 (2004) 32507

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124.

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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125.

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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126.

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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127.

Profile of resonant photoelectron spectra versus the spectral function width and photon frequency detuning R. Feifel, V. Kimberg, A. Baev, F. Gel'mukhanov, H. Ågren, C. Miron, G. ï¿œhrwall, M. N. Piancastelli, S. L. Sorensen, L. Karlsson and S. Svensson Phys. Rev. A 70, 032708 (2004)

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128.

Resonant inelastic x-ray scattering at the F 1s photoabsorption edge in LiF: Interplay of excitonic and conduction states, and Stokes' doubling A. Kikas, T. Kaambre, A. Saar, K. Kooser, E. Nõmmiste, I. Martinson, V. Kimberg, S. Polyutov and F. Gel'mukhanov Physical Review B, 70, 085102 (2004)

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129.

Role of electronic localization and charge-vibrational coupling in resonant photoelectron spectra of polymers: Application to poly-(para-phenylenevinylene) R. Friedlein, S. L. Sorensen, J. Birgerson, A. Crispin, M. P. de Jong, W. Osikowicz, L. Rosenqvist, C. Murphy, A. Baev, F. Gel'mukhanov, H. Ågren and W. R. Salaneck Phys. Rev. B 69, 125204 (2004)

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130.

Role of stray light in the formation of high-resolution resonant photoelectron spectra: An experimental and theoretical study of N2. R. Feifel, A. Baev, F. Gel'mukhanov, H. Ågren, M. N. Piancastelli, M. Bassler, C. Miron, S. L. Sorensen, A. Naves de Brito, O. Bjorneholm, L. Karlsson and S. Svensson J. Electron Spectr. 134 (2004) 49

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131.

Structure determination through measurments of Doppler-split Auger resonances in fixed-in-space molecules F. Gel'mukhanov, V. Kimberg and H. Ågren Phys. Rev. A, 69, 020501 (2004)

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132.

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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133.

Two color phase sensitive x-ray pump-probe spectroscopy F. F. Guimaraes, V. Kimberg, F. Gel'mukhanov and H. Ågren Phys. Rev. A 70, 062504 (2004)

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134.

X-ray Doppler spectroscopy of ultrafast fragmentation F. Gel'mukhanov, V. Kimberg and H.Ågren Chemical Physics, 299, 253 (2004)

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135.

A wave-packet technique to simulate resonant X-ray scattering cross sections Paweł Sałek Comp. Phys. Comm. 150 (2003) 85-98

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136.

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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137.

Doppler effect in resonant photoemission from SF6: Correlation between Doppler profile and Auger emission anisotropy M. Kitajima, K. Ueda, A. De Fanis, T. Furuta, H. Shindo, H. Tanaka, K. Okada, R. Feifel, S.L. Sorensen, F. Gel'mukhanov, A. Baev and H. Ågren Phys. Rev. Lett. 91, 213003 (2003)

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138.

Dynamical properties of X-ray Raman Scattering P. Sałek, A. Baev, F. Gel'mukhanov and H. Ågren Phys. Chem. Chem. Phys., 5, 1-11 (2003) Attached: rxs_pccp.pdf

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139.

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

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140.

Geometrical information on core-excited states obtained from interference quenching of vibrational states in resonant X-ray photoemission A. Baev, R. Feifel, F. Gel'mukhanov, H. Ågren, M.N. Piancastelli, M. Bassler, C. Miron, S.L. Sorensen, A. Naves de Brito, O. Bjorneholm, L. Karlsson and S. Svensson Phys. Rev. A, 67, 022713. (2003)

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141.

Picturing molecular femtosecond processes through an ultrafast controllable X-ray shutter A. Baev, P. Sałek, F. Kh. Gel'mukhanov, H. Ågren, A. Naves de Brito, O. Böneholm and S. Svensson. Chem. Phys. 289, 51-56 (2003)

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142.

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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143.

X-ray absorption and photoionization of laser excited molecules T. Privalov, F. Gel'mukhanov and H. Ågren J. Electron Spectrosc. 129, 43 (2003).

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144.

An ab initio method for computing multi-atom resonant photoemission Vincenzo Carravetta and H. Ågren Chem. Phys. Lett. 354, 100 (2002).

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145.

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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146.

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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147.

Doppler interference in dissociative resonant photoemission A. Baev, F. Gel'mukhanov, P. Sałek, H. Ågren, K. Ueda, A. de Fanis, K. Okada and S. Sorensen Phys. Rev. A 66, 022509 (2002)

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148.

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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149.

Inner-shell absorption spectroscopy of amino acids. K. Kaznacheyev, A. Osanna, C. Jacobsen, O. Plashkevytch, O. Vahtras, H. Ågren, V. Carravetta and A.P. Hitchcock J. Phys. Chem. A+, 106, 3153 (2002).

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150.

Interference quenching of \nu''=1 vibrational line in resonant photoemission of N2: A possibility to obtain geometrical information on the core-excited state R. Feifel, A. Baev, F. Gel'mukhanov, H. Ågren, M. N. Piancastelli, M. Bassler, C. Miron, S. L. Sorensen, A. Naves de Brito, O. Bjorneholm, L. Karlsson and S. Svensson Phys. Rev. Lett., vol.89, 10, 103002-1 103002-4 (2002)

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151.

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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152.

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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153.

Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label M. Engström, R. Owenius and O. Vahtras Chem. Phys. Lett., 338, 407, (2001).

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154.

Anisotropic EXAFS measured in the Raman mode: A way to determine bond angles in randomly oriented species F. Gel'mukhanov, O. Plashkevych and H.Ågren J. Phys. B., 34, 869 (2001)

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155.

A screened static-exchange potential for core electron excitations V. Carravetta, O. Plashkevych and H. Ågren Chem. Phys., 263, 231 (2001). Attached: screened_STEX.pdf

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156.

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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157.

A theoretical study of the chemisorption of molecular hydrogen on a seven atom gold cluster H. Strømsnes, S, Jusuf, B. Schimmelpfennig, U. Wahlgren and O. Gropen J. Mol. Struct. Vol. 567-568, 137-143 (2001)

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158.

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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159.

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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160.

Detailed study of pyridine at the C1s and N1s ionization thresholds: The influence of the vibrational fine structure. C. Kolczewski, R. ütner, O. Plashkevytch, H. Ågren, V. Staemmler, M. Martins, G. Snell, A.S. Schlachter, M. Sant'anna, G. Kaindl and L.G.M. Pettersson J. Chem. Phys. 115, 6426 (2001).

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161.

Dynamical suppression of atomic peaks in resonant dissociative photoemission. P. Sałek, V. Carravetta, F. Kh. Gel'mukhanov, H. Ågren, B. Schimmelpfennig, M. -N. Piancastelli, S. L. Sorensen, R. Feifel, I. Hjelte, M. Bässler, S. Svensson O. Björneholm and A. Naves de Brito Chem. Phys. Letters, 343, 332 (2001).

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162.

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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163.

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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164.

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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165.

Near-edge X-ray absorption spectra of carbon-nitride molecules and solids O. Plashkevych, A. Snis, L. Yang, H. Ågren and S.F. Matar Physica Scripta 63, 70 (2001).

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166.

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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167.

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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168.

Role of relaxation and time-dependent formation of x-ray spectra Privalov T.I., Gel'mukhanov F.Kh. and H. Ågren Phys. Rev. B 64, 165115 (2001)

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169.

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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170.

Theory and first principle calculations of dissociative resonant photoionization. The evolution of atomic peaks and holes P. Sałek, V. Carravetta, F. Gel'mukhanov and H. Ågren J. Chem. Phys. 116 (2), 629-645 (2001)

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171.

Vibrationally resolved core photoelectron spectroscopy as an \infty-slit interferometry F. Gel'mukhanov, P. Sałek and H. Ågren Phys. Rev. A, 64, 012504 (2001).

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172.

X-ray Raman scattering from molecules and solids in the framework of the Mahan-Noziéres-De Dominicis model T. Privalov, F. Gel'mukhanov and H. Ågren Phys. Rev. B, 64, 165116 (2001)

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173.

Ab initio calculations of molecular resonant photoemission spectra V. Carravetta, H. Ågren, O. Vahtras and H.J.Aa. Jensen J. Chem. Phys. 113, 7790 (2000).

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174.

Bond-distance-dependent decay probability of the N 1s-π* core-excited state in N2. M. N. Piancastelli, R. F. Fink, R. Feifel, M. Bässler, S. L. Sorensen, C. Miron, H. Wang, I. Hjelte, O. Björneholm, A. Ausmees, S. Svensson, P. Sałek, F. Kh. Gel'mukhanov and H. Ågren J. Phys. B, 33, 1819-1826 (2000). Attached: piancastelli-n2.pdf

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175.

Calculations of valence electron binding energies using Kohn-Sham theory and transition potentials. O. Plashkevych, H. Ågren, L. Karlsson and L.G.M. Pettersson. J. Electron Spectrosc. Rel. Phen.,106 (2000) 51-63 Attached: dft_ups2000.pdf

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176.

Continuum modeling of multi-mode vibronic structure in NEXAFS T. Privalov, O. Plashkevych, F. Gel'mukhanov and H. Ågren J.Chem. Phys., 113, 3734 (2000). Attached: JCP03734.pdf

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177.

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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178.

Doppler effect for bound nuclear motion and its manifestation in resonant photoemission of oriented systems P. Sałek, F. Gel'mukhanov, T. Privalov and H. Ågren Chem. Phys. Lett., 328, 425 (2000).

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179.

Doppler splitting at in-flight Auger decay of dissociating oxygen molecules: The localization of delocalized core holes O. Björneholm, M. Bässler, A. Ausmees, I. Hjelte, R. Feifel, H. Wang, C. Miron, M.N. Piancastelli, S. Svensson, S.L. Sorensen, F. Gel'mukhanov and H. Ågren Phys. Rev. Letters, 84, 2826 (2000)

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180.

Kramers-Heisenberg and Weisskopf-Wigner descriptions of resonant x-ray Raman scattering H. Ågren and F. Gel'mukhanov J.Electr.Spectr.Rel.Phen. \bf 110, 153 (2000)

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181.

Observation of a continuum-continuum interference hole in ultrafast dissociating core-excited molecules R. Feifel, F. Burmeister, P. Sałek, M. N. Piancastelli, M. Bäßler, S. L. Sorensen, C. Miron, H. Wang, I. Hjelte, O. Björneholm, A. Naves de Brito, F. Kh. Gel'mukhanov, H. Ågren and S. Svensson Phys. Rev. Letters, 85, 3133 (2000).

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182.

On the validity of the equivalent cores approximation for computing X-ray photoemission and photoabsorption spectral bands O. Plashkevych, T. Privalov, H. Ågren, V. Carravetta and K. Ruud Chem. Phys., 260, 11 (2000) Attached: vibro_published.pdf

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183.

Resonant X-ray Raman Scattering in a Laser Field F. Gel'mukhanov, P. Cronstrand and H. Ågren Phys.Rev. A \bf 61, No 2, 2503 (2000)

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184.

Resonant X-ray Raman scattering involving avoided crossings in the final state potential energy curves. P. Sałek, R.F. Fink, F. Gel'mukhanov, M.N. Piancastelli, R. Feifel, M. Bäßler, S. L. Sörensen, C. Miron, H. Wang, I. Hjelte, O. Björneholm, A. Ausmees, S. Svensson and H. Ågren Phys. Rev. A, \bf 62, 062506 (2000)

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185.

Temperature dependence and Debye-Waller factors for resonant x-ray Raman scattering in solids F. Gel'mukhanov, T. Privalov and H. Ågren Phys. Rev. B 62, 13996 (2000).

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186.

Vibronic structure fingerprints in NEXAFS: a theoretical study of 2-mercaptobenzoxazole. O. Plashkevych, H. Ågren, V. Carravetta, G. Contini and G. Polzonetti Chem. Phys. Letters, 327, 7 (2000) Attached: mbovib_published.pdf

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187.

X-ray Raman scattering under pulsed excitation F. Gel'mukhanov, P. Sałek, A. Shalagin and H. Ågren J. Chem. Phys. 112, 5593 (2000) Attached: pulse.pdf

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188.

A theoretical investigation of sulphur K-shell X-ray absorption of cysteine Y. Mochizuki, H. Ågren, L.G.M. Pettersson and V. Carravetta Chem. Phys. Letters, 309, 241 (1999)

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189.

Bond length dependent core hole localization observed in simple hydrocarbons K. Gunnelin, P. Glans, J.E. Rubensson, C. Såthe, J. Nordgren, L. Yang, F. Gel'mukhanov and H. Ågren Phys. Rev. Lett. 83 (1999) 1315

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190.

Bond length dependent core hole localization observed in simple hydrocarbons K. Gunnelin, P. Glans, J.-E. Rubensson, C. Såthe, J. Nordgren, Y. Li, F. Gel'mukhanov and H. Ågren Phys.Rev.Lett. \bf 83, No 7, 1315-1318 (1999)

---

191.

Calculation of X-ray emission spectra of molecules and surface adsorbates by means of density functional theory L. Triguero, L.G.M. Pettersson and H. Ågren J.Phys.Chem.\bf 105, 10599 (1999)

---

192.

Comment on "Nondipole resonant x-ray Raman spectroscopy: Polarized inelastic scattering at K edge of Cl2" F. Gel'mukhanov and H. Ågren Phys.Rev.Lett. \bf 82, No 3, 666-666 (1999)

---

193.

Competition between decay and dissociation of core-excited carbonyl sulfide studied by x-ray scattering M. Magnusson, J. Guo, C. Såthe, J.-E. Rubensson, J. Nordgren, P. Glans, L. Yang, P. Sałek and H. Ågren Phys. Rev. A \bf 59 No. 6, 4281-4287 (1999) Attached: ocs4.pdf

---

194.

Core electron spectroscopy of chromium hexacarbonyl. A comparative theoretical and experimental study L. Yang, H. Ågren, L.G.M. Pettersson, J. Guo, C. Såthe, A. Fölisch, A. Nilsson and J. Nordgren Physica Scripta, 59, 138 (1999)

---

195.

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)

---

196.

Core ionization energies of carbon-nitrogen molecules and solids. A. Snis, S.F. Matar, O. Plashkevych, L. Yang and H. Ågren. J. Chem. Phys., 111 (1999) 9678 Attached: JCP09678.pdf

---

197.

Duration of x-ray Raman scattering F. Gel'mukhanov, P. Sałek, T. Privalov and H. Ågren Phys. Rev. A \bf 59 No. 1, 380-389 (1999) Attached: duration.pdf

---

198.

Dynamics of Inner Shell Resonant Raman Scattering H. Ågren, F. Gel'mukhanov and P. Sałek J.of the Jap. Society for Synchrotron Radiation Research,\bf 12, No 4,257-267 (1999) Attached: japan.ps

---

199.

Generalized Frank-Condon principle for resonant photoemission P. Sałek, F. Gel'mukhanov, H. Ågren, O. Björneholm and S. Svensson Phys. Rev A \bf 60 No. 4 2786-2791 (1999) Attached: GFCFactors.pdf

---

200.

Near-edge X-ray absorption and dichroism in amino acids L. Yang, V. Carravetta, O. Vahtras, O. Plashkevych and H. Ågren J. Synchrotron Rad., 6, 708 (1999)

---

201.

Orientational probing of multi-layer 2-mercaptobenzoxazole through NEXAFS:An experimental and theoretical study V. Carravetta, G. Contini, O. Plashkevytch, H. Ågren and and G. Polzonetti J. Phys. Chem. A 103, 4641 (1999)

---

202.

Orientation of 10,11-Dihydrocinchonidine on Pt(111) T. Evans, A.P. Woodhead, A. Gutièrrez-Soza, G. Thornton, T.J. Hall, A.A. Davis, N.A. Young, P.B. Wells, R.J. Oldman, O. Plashkevych, O. Vahtras, H. Ågren and V. Carravetta Surface Science Letters, 436, L691-L696 (1999) Attached: surfsc436.pdf

---

203.

Photoionization cross sections of charge-induced gap states: A theoretical study of doped diphenylpolyenes L. Yang, O. Vahtras and H. Ågren Phys. Rev. B 59 (1999) 5457

---

204.

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

---

205.

Resonant X-Ray Raman Scattering F. Gel'mukhanov and H. Ågren Physics Reports, \bf 312, No 3-6, 87-330 (1999)

---

206.

Role of electron-phonon interaction in resonant x-ray Raman scattering by polymers and solids T. Privalov, F. Gel'mukhanov and H. Ågren Phys.Rev. B \bf 59, No 14, 9243-9258 (1999)

---

207.

Separate state vs. transition state Kohn-Sham calculations of X-ray photoelectron binding energies and chemical shifts. L. Triguero, O. Plashkevych, H. Ågren and L.G.M. Pettersson. J. Electron Spectrosc. Rel. Phen., 104 (1999) 195 Attached: dft_xps1999.pdf

---

208.

Wave packet dynamics of resonant x-ray Raman scattering: excitation near the Cl LII,III edge of HCl P. Sałek, F. Gel'mukhanov and H. Ågren Phys. Rev. A \bf 59 No. 2, 1147-1159 (1999) Attached: pawel4.ps

---

209.

A theoretical study of the near-edge X-ray absorption spectra of some larger amino acids V. Carravetta, O. Plashkevych and H. Ågren J. Chem. Phys., 109, 1456 (1998) Attached: JCP01456.pdf

---

210.

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)

---

211.

Calculations of near-edge X-ray absorption spectra of gas phase and chemisorbed molecules L. Triguero, L.G.M. Pettersson and H.Ågren Phys. Rev. B. 58, 8097 (1998)

---

212.

Channel interference in resonant Auger scattering by surface adsorbated molecules F. Gel'mukhanov, V. Carravetta and H. Ågren Phys.Rev.B \bf 58, No 4, 2216-2227 (1998)

---

213.

Channel interference in x-ray Raman scattering; parity selection rules, dephasing, and localization of core holes F. Gel'mukhanov and H. Ågren J.Electr.Spectr.Rel.Phen. 93, 31-37 (1998)

---

214.

Doppler effects in x-ray Raman scattering F. Gel'mukhanov, H. Ågren and P. Sałek Phys.Rev. A 57, No 4, 2511-2526 (1998)

---

215.

Dynamics and coherence in resonant x-ray Raman scattering F. Gel'mukhanov and H. Ågren J.Electr.Spectr.Rel.Phen. \bf 88-91, 29-33 (1998)

---

216.

Energy-dependent valence photoelectron spectra of SF6. Ab initio calculations and measurements L. Yang, O. Vahtras, H. Ågren, V. Carravetta, L. Karlsson, B. Wannberg, D.M.P. Holland and M.A. MacDonald J. Electron Spectrosc. Rel. Phenom. 94 (1998) 163

---

217.

Measurements of core hole localization in x-ray Raman scattering F. Gel'mukhanov and H. Ågren Pisma Zh.Eksp.Teor.Fiz. 67,No 12,1005 [JETP Lett, 67,No 12,1064] (1998)

---

218.

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)

---

219.

Soft and hard x-ray Raman scattering by oriented symmetrical molecules; selection rules, interference, and dephasing mechanisms F. Gel'mukhanov, T. Privalov and H. Ågren J. Chem. Phys. \bf 109, No 12, 5060-5069 (1998)

---

220.

Spectral features of resonant radiative x-ray Raman scattering by polymers and solids F. Gel'mukhanov and H. Ågren Phys.Rev.B \bf 57, No 5, 2780-2792 (1998)

---

221.

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

---

222.

Theoretical study of X-ray circular dichroism of amino acids O. Plashkevych, V. Carravetta, O. Vahtras and H. Ågren Chem. Phys. 232, 49 (1998) Attached: amino1_published.pdf

---

223.

Ab initio static exchange calculations of shake-up spectra of molecules and surface adsorbates V. Carravetta, L. Yang, O. Vahtras, H. Ågren and L.G.M. Pettersson J. Phys. IV (C2), 7, 519 (1997).

---

224.

Assembly and decompostion of building block models to analyze polymer NEXAFS spectra L.G.M. Pettersson, H. Ågren, B.L. Schurmann, A. Lippitz and W.E.S. Unger Int. J. Quant. Chem. 63, 749 (1997)

---

225.

Assigning x-ray absorption spectra by means of soft x-ray emission spectroscopy K. Gunnelin, P. Glans, P. Skytt, J.-H. Guo, J. Nordgren and H. Ågren Phys.Rev.A \bf 57, 864-872 (1997)

---

226.

Auger decay of core excited higher Rydberg states of carbon monoxide S. Sundin, F. Kh. Gel'mukhanov, S.J. Osborne, O. Björneholm, A. Ausmees, A. Kikas, S.L. Sorensen, A. Naves de Brito, R.R.T. Marinho, S. Svensson and H. Ågren .Phys.B:At.Mol.Opt.Phys.\bf 30, 4267-4278 (1997)

---

227.

Band theory versus exciton theory interpretations of x-ray spectra of oligomers and polymers H. Ågren, F. Gel'mukhanov and C. Liegener Int.J.Quant.Chem. \bf 63, No 2, 313-332 (1997)

---

228.

Calculations of NEXAFS spectra of substituted benzenes L. Yang, O. Plachkevytch, H. Ågren and L.G.M. Pettersson J. Phys. IV (C2), 7, 227 (1997)

---

229.

Can substituted benzenes be used as building blocks in core electron shake-up spectra ? L. Yang and H. Ågren Chem. Phys. 222, 139 (1997).

---

230.

Collapse of vibrational structure in spectra of resonant X-ray Raman Scattering F. Gel'mukhanov, T. Privalov and H. Ågren Phys.Rev. \bf A 56, 256-264 (1997)

---

231.

Collapse of vibrational structure in the resonant X-ray photoemission spectrum of CO by frequency detuning S. Sundin, F. Kh. Gel'mukhanov, H. Ågren, S. J. Osborne, A. Kikas, O. Björneholm, A. Ausmees and S. Svensson Phys.Rev.Lett.\bf 79, No 8, 1451-1454 (1997)

---

232.

Density of states versus cross sections interpretations of valence photoelectron spectra L. Yang, V. Carravettta, O. Vahtras and H. Ågren Europhys. Lett. 39 (1997) 389

---

233.

Direct SCF direct static-exchange calculations of electronic spectra H.Ågren, V.Carravetta, O.Vatras and L.G.M.Pettersson Theor.Chem.Acc. \bf 97, 14-40 (1997)

---

234.

Direct SCF - Direct Static Exchange calculations of electronic spectra H. Ågren, V. Carravetta, O. Vahtras and L.G.M. Pettersson Theor. Chem. Accounts. 97, 14 (1997)

---

235.

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)

---

236.

Excitation-energy-dependent resonant photoemission: C 1s-π* spectra of carbon monoxide V. Carravetta, F. Kh. Gel'mukhanov, H. Ågren, S. Sundin, S.J. Osborne, A. Kikas, O. Björneholm, A. Ausmees and S. Svensson Phys.Rev.A 56, 4665 (1997)

---

237.

Femtosecond Dissociation of Core-Excited HCl Monitored by Frequency Detuning O. Björneholm, S. Sundin, S. Svensson, R.R.T. Marinho, A. Naves de Brito, F. Gel'mukhanov and H. Ågren Phys.Rev.Lett. \bf 79, No 17, 3150-3153 (1997)

---

238.

Natural circular dichroism in non-resonant X-ray emission O. Vahtras, H. Ågren and Vincenzo Carravetta J. Phys. B \bf 30, 1493 (1997)

---

239.

Nuclear Dynamics in X-ray Raman Scattering F. Gel'mukhanov and H. Ågren Appl.Phys. A \bf 65, 123-130 (1997)

---

240.

On the initial and final state rules for prediction of near-edge X-ray absorption intensities L. Yang, H. Ågren, L.G.M. Pettersson and V. Carravetta J. Electron Spectr. 82, 209 (1997)

---

241.

Ordinary and rotatory intensities for X-ray absorption at the C-1s edge organic chiral molecules:propylene oxide, trans 1,2- dimethylcyclopropane V. Carravetta, O. Plachkevytch, O. Vahtras and H. Ågren Chem. Phys. Letters, 257, 70-78 (1997) Attached: 9866.pdf

---

242.

Patrial channel photoionization cross sections of polyenes V. Carravettta, L. Yang and H. Ågren Phys. Rev. B 55 (1997) 10044

---

243.

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)

---

244.

Restoration of selection rules in nonadiabatic resonant X-ray Raman scattering F. Gel'mukhanov, H. Ågren and T. Privalov Zh.Eksp.Teor.Fiz. \bf 112, 37-49 (1997)[JETP \bf 85, No 1, 20-26]

---

245.

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)

---

246.

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

---

247.

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)

---

248.

Substituted benzenes as building blocks in near-edge X-ray absorption spectra O. Plashkevych, L. Yang, O. Vahtras, H. Ågren and L.G. Pettersson Chem. Phys., 222, 125 (1997) Attached: fben_published.pdf

---

249.

Theoretical investigation of UV photoelectron spectra of pyridine compound molecules L. Yang, H. Ågren and V. Carravetta J. Electron Spectrosc. Rel. Phenom. 87 (1997) 141

---

250.

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)

---

251.

Theory of resonant elastic x-ray scattering by free molecules F. Gel'mukhanov and H. Ågren Phys.Rev.A \bf 56, No 4, 2676-2684 (1997)

---

252.

Cluster modelling of core electron photoabsorption of CO adsorbed on Cu (100) L.G.M. Pettersson, H. Ågren, V. Carravetta and O. Vahtras Surface Science, 365, 581 (1996)

---

253.

Core electron shake-up spectra of polyenes. A theoretical study on size and site dependences and excitonic character Li Yang and H. Ågren Phys. Rev. B 54, 13649 (1996)

---

254.

Integral properties of channel interference in resonant x-ray scattering F. Gel'mukhanov, H. Ågren, M. Neeb, J.-E. Rubensson and and A. Bringer Phys.Lett.\bf A211, 101-108 (1996)

---

255.

On the interpretation of the NEXAFS spectrum of molecular oxygen H. Ågren, L. Yang, V. Carravetta and L.G.M. Pettersson Chem. Phys. Letters, 259, 21 (1996)

---

256.

Orbital interpretations of carbonyl shake-up spectra Li Yang and H. Ågren THEOCHEM, 388, 221 (1996).

---

257.

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)

---

258.

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)

---

259.

Raman, non-Raman and anti-Raman dispersion in resonant x-ray scattering spectra of molecules F. Gel'mukhanov and H. Ågren Phys.Rev.A \bf 54, No 5, 3960-3970 (1996)

---

260.

Raman versus non-Raman behaviour in Resonant Auger spectra of HCL E. Kukk, H. Aksela, S. Aksela, F. Gel'mukhanov, H. Ågren and and S. Svensson Phys.Rev.Lett. \bf 76, No 17, 3100-3103 (1996)

---

261.

Resonant x-ray emission spectroscopy of molecular oxygen P. Glans, K. Gunnelin, P. Skytt, J.-H. Guo, N. Wassdahl, J. Nordgren, H. Ågren, F. Gel'mukhanov, T. Warwick and E. Rotenberg Phys.Rev.Lett. \bf 76, No 14, 2448-2451 (1996)

---

262.

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)

---

263.

Self-consistent field calculations of X-ray emission spectra of surface adsorbates: CO/Cu(100) V. Carravetta, L.G.M. Pettersson, O. Vahtras and H. Ågren Surface Science \bf 369, 146 (1996)

---

264.

Static exchange and cluster modelling of core electron shake-up spectra of surface adsorbates: CO/Cu(100) H. Ågren, Vincenzo Carravetta, L. G.M. Pettersson and O. Vahtras Phys. rev. B, 53, 16074 (1996).

---

265.

Static exchange and quantum defect analysis of X-ray absorption spectra of carbonyl compounds. L. Yang, H. Ågren, V. Carravetta and L.G.M. Pettersson Physica Scripta, 54, 614 (1996)

---

266.

Theory of Auger spectra for molecular field splitted core levels F. Gel'mukhanov, H. Ågren, H. Aksela and S. Aksela Phys.Rev.\bf A53, No 3, 1379-1387 (1996)

---

267.

Theory of x-ray emission of conjugated molecules F. Gel'mukhanov, Li Yang and H. Ågren J.Chem.Phys. \bf 105, 5224-5232 (1996)

---

268.

X-ray Raman scattering involving electronic continuum resonances F. Gel'mukhanov and H. Ågren J.Phys.B:At.Mol.Opt.Phys.\bf 29, 2751-2762 (1996)

---

269.

X-ray resonant scattering involving dissociative states F. Gel'mukhanov and H. Ågren Phys.Rev. \bf A 54, No 1,379-393 (1996)

---

270.

Calculation of NEXAFS spectra for surface-adsorbated Hydroxyl on Cu(111) L.G.M. Pettersson, H. Ågren, O. Vahtras and V. Carravetta J. Chem. Phys. 103, 8713 (1995)

---

271.

Core electron chemical shifts in conjugated molecules and polymers F. Gel'mukhanov and H. Ågren J.Chem.Phys. \bf 103, No 13, 5848-5859 (1995)

---

272.

\it Ab initio MCSCF and local-density-functional studies of vibrational structures of core level photoelectron spectra of SiH4 and GeH4. Z.S. Liu, G.M. Bancroft, J.S. Tse and H. Ågren. Phys. Rev. A 51, 439 (1995)

---

273.

Near-edge core photoabsorption of polyenes. V. Carravetta, H. Ågren, L.G.M. Pettersson and O. Vahtras J. Chem. Phys. 102, 5589 (1995)

---

274.

Near-edge core photoionization of polyacenes. Model molecules for graphite. H. Ågren, V. Carravetta and O. Vahtras Chem. Phys. 195, 47 (1995)

---

275.

Orientational probing of polymeric thin films by NEXAFS.Calculations on polytetrafluoroethylene. H. Ågren, V. Carravetta, O. Vahtras and L.G.M. Pettersson Phys. Rev. B 51, 17848 (1995)

---

276.

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)

---

277.

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)

---

278.

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)

---

279.

Static exchange calculations of X-ray absorption fine structures of polymers and surface adsorbates. H. Ågren, V. Carravetta, O. Vahtras and L.G.M. Pettersson Physica B. 208-209, 477 (1995)

---

280.

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)

---

281.

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)

---

282.

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)

---

283.

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)

---

284.

Theory of x-ray excitons in conjugated molecules and polymers F. Gel'mukhanov and H. Ågren J.Phys.B:At.Mol.Opt.Phys. \bf 28, 3699-3715 (1995)

---

285.

X-ray Raman scattering as a means for studies of near-edge and extended x-ray absorption fine structures F. Gel'mukhanov and H. Ågren Physica B, \bf 208-209, 100-102 (1995)

---

286.

Auger spectra of linear alkynes and alkenes. Experiment and theory C.M. Liegener, S. Svensson and H. Ågren Chem. Phys. 179, 313 (1994)

---

287.

Channel interference in resonance elastic x-ray scattering F. Gel'mukhanov and H. Ågren Phys.Rev. \bf A50, No 2, 1129-1132 (1994)

---

288.

Direct -atomic orbital, static exchange calculations of photoabsorption spectra of large molecules H. Ågren, V, Carravetta, O. Vahtras and L.G.M. Pettersson Chem. Phys. Letters 75, 222 (1994)

---

289.

\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)

---

290.

Observation of an anomalous decay ratio between the molecular field split levels in the S2p core photoelectron and LVV Auger spectrum of H2S S. Svensson, A. Ausmees, S.J. Osborne, G. Bray, F. Gel'mukhanov, H. Ågren, A. Naves de Brito, O.-P. Sairanen, A. Kivimäki, E. Nõmmiste, H. Aksela and S. Aksela Phys.Rev.Lett. \bf 72, No 19,3021-3024 (1994)

---

291.

Polarization features of x-ray absorption spectra measured in the resonance inelastic x-ray scattering mode F. Gel'mukhanov and H. Ågren Phys.Lett. \bf A185, No 4, 407-411 (1994)

---

292.

Resonant inelastic x-ray scattering with symmetry-selective excitation F. Gel'mukhanov and H. Ågren Phys.Rev. \bf A49, No 6, 4378-4389 (1994)

---

293.

Size dependency of soft X-ray emission spectra. Calculations on finite polyenes and polyacetylene Y.Luo, C.Liegener and H.Ågren Chem.Phys.Lett. \bf 233, 123-128 (1994)

---

294.

Stokes doubling in Auger spectra F. Gel'mukhanov and H. Ågren Phys.Lett. \bf A193, 375-379 (1994)

---

295.

Structures of surfaces and amorphous samples obtained by EXAFS measurements in the x-ray Raman-scattering mode F. Gel'mukhanov and H. Ågren Phys.Rev. \bf B50, No 15, 11121-11131 (1994)

---

296.

Vibrationally and orientationally selective probing of intermolecular potentials in physisorbed molecules O. Björneholm, H. Tillborg, A. Nilsson, N. Mårtensson, H. Ågren and C.M. Liegener Phys. Rev. Lett. 73, 2551 (1994)

---

297.

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)

---

298.

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)

---

299.

Calculation of X-ray emission spectra of molecules and polymers by the Green's function method C.-M. Liegener and H. Ågren J. Chem. Phys. 99, 2821 (1993)

---

300.

Calculations of near-edge X-ray absorption spectra of molecules and polymers by a Green's function method C.-M. Liegener and H. Ågren Phys. Rev. B 48, 789 (1993)

---

301.

Do shape resonances exist in molecular shake spectra ? S. Svensson and H. Ågren Chem. Phys. Letters 205, 387 (1993)

---

302.

Do shape resonances exist in molecular shake spectra. S. Svensson and H. Ågren Chem. Phys. Letters 205, 387 (1993)

---

303.

Doubly ionized states of carbon hexafluorobenzene studied by high-resolution Auger and double charge transfer spectroscopies W.J. Griffiths, S. Svensson, A. Naves de Brito, N. Correia, B. Wannberg, M.L. Langford, F.M. Harris, C.M. Liegener and H. Ågren J. Chem. Soc.Faraday Trans. 89, 1637 (1993)

---

304.

Doubly ionized states of carbon tetrafluoride W.J. Griffiths, S. Svensson, A. Naves de Brito, N. Correia, C.J. Reid, M.L. Langford, F.M. Harris, C.M. Liegener and H. Ågren Chem. Phys. 173, 109 (1993)

---

305.

Experimental and theoretical investigation of the soft X-ray emission spectrum of molecular oxygen. P. Glans, J. Nordgren, H. Ågren and A. Cesar J. Phys. B. 98, 6417 (1993)

---

306.

Experimental and theoretical studies of XPS core levels of acetonitrile, acrylonitrile and propionitrile: Model molecules for polyacrylonitrile A. Naves de Brito, S. Svensson, H. Ågren and J. Delhalle J. Electron Spectrosc. 63, 239 (1993)

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307.

Multi-configuration linear response approaches to photoionization cross sections. H. Ågren, V. Carravetta, H.J. Aa. Jensen, P. Jørgensen and J. Olsen Phys. Rev. A, 47, 3810 (1993)

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308.

Relaxation and correlation contributions to molecular double core ionization energies H. Ågren and H.J.Aa. Jensen Chem. Phys. 172, 45 (1993)

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309.

Spin-orbit coupling in molecular Auger spectra. Validity of propensity rules for water H. Ågren and O. Vahtras J. Phys. B. Letters. 26, 913 (1993)

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310.

Auger and double charge transfer spectra of polyconjugated hydrocarbons:Butadiene, hexatriene and polyacetylene C.-M. Liegener, A. Naves de Brito, H. Ågren, W.J. Griffiths, S. Svensson and F.M. Harris Phys. Rev B. 46, 11295 (1992)

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311.

Calculation of time autocorrelation and spectral functions using locally expanded potentials A. Cesar and H. Ågren Int.J.Quant.Chem. 42, 365-401 (1992)

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312.

High resolution XPS study of Cr(CO)6 in the gas phase A. Nilsson, N. Mårtensson, S. Svensson, L. Karlsson, D. Nordfors, U. Gelius and H. Ågren J. Chem. Phys. 96, 8770 (1992)

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313.

Model calculations of Auger energy shifts in liquid water and ice S. Knuts and H. Ågren Physica Scripta, T41, 95 (1992)

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314.

Nonradiative and dissociative decay channels of core-excited H2S studied by ab initio calculations A. Naves de Brito and H. Ågren Phys Rev. A. 45, No 11, 7953-7962 (1992)

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315.

State interference in resonance Auger and x-ray emission A. Cesar and H. Ågren Phys.Rev.A \bf 45, No 5, 2833-2841 (1992)

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316.

The Auger shake-up satellite spectrum of the N2 molecule S. Svensson, A. Naves de Brito, M.P. Keane, N. Correia, L. Karlsson, C.-M. Liegener and H. Ågren J. Phys. B. 25, 135 (1992)

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317.

The C1s core binding energy shifts of ethene, 1,3-butadiene, 1,3,5-hexatriene. The analogue to a surface shift observed on a quasi one-dimensional system. A. Naves de Brito, S. Svensson, M.P. Keane, H. Ågren and N. Correia Europhysics Letters, 20, 205 (1992)

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318.

The core electron shake phenomenon H. Ågren and V. Carravetta Int. J. Quant. Chem. 42, 685 (1992)

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319.

Theory of molecular Auger spectra H. Ågren, A. Cesar and C.-M. Liegener Adv.Quant.Chem. 23, 1-82 (1992)

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320.

XPS core spectral functions of free and physisorbed molecular oxygen D. Nordfors, H. Ågren and K. Mikkelsen Chem. Phys. 164, 173 (1992)

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321.

X-ray induced electron yield spectra of thin films of 1,3-trans-butadiene and 1,3,5- hexatriene A. Naves de Brito, S. Svensson, N. Correia, M.P. Keane, H. Ågren, O.-P. Sarinen, A. Kivimäki and S. Aksela J. Electron Spectrosc. 59, 293 (1992)

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