Search for author: O. Vahtras

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1.

EPR spin Hamiltonian parameters of encapsulated spin-labels: Impact of the hydrogen bonding topology B. Frecus, Z. Rinkevicius, N. Arul Murugan, O. Vahtras, J. Kongsted and H. Ågren Phys. Chem. Chem. Phys. 15, 2427-2434 (2013) DOI: 10.1039/C2CP43951D

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2.

Hybrid density functional -- molecular mechanics calculations for core-electron binding energies of glycine in water solution J. Niskanen, N. Arul Murugan, Z. Rinkevicius, O. Vahtras, C. Li, S. Monti, V. Carravetta and H. Ågren Phys, Chem. Chem. Phys. 15, 244. (2013)

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3.

Encapsulation influence on EPR parameters of spin-labels: 2,2,6,6-tetramethyl-4-methoxypiperidine-1-oxyl in cucurbit[8]uril Z. Rinkevicius, B. Frecus, N. Arul Murugan, J. Kongsted, O. Vahtras and H. Ågren J. Chem. Theory Comput. vol. 8, pp. 257–263 (2012) DOI: 10.1021/ct200816z

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4.

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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5.

Symmetry breaking in core-valence double photoionization of SO2 J. Niskanen, E. Andersson, J. H. D. Eland, P. Linusson, L. Hedin, L. Karlsson, R. Feifel and O. Vahtras Phys. Rev. A 85, 023408 (2012) DOI: 10.1103/PhysRevA.85.023408

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6.

Theoretical insights into the visible near-infrared absorption spectra of Bis(hexafluoroacetylacetonate) copper(II) in pyridine K. J. de Almeida, T. C. Ramalho, M. C. Alves and O. Vahtras Int. J. Quant. Chem., 112, 2571, 2012 DOI: 10.1002/qua.23273

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7.

Ab initio study of excited state electronic circular dichroism. Two prototype cases: Methyl oxirane and R-(+)-1,1 '-bi(2-naphthol) A. Rizzo and O. Vahtras J. Chem. Phys. 134, 244109 (2011) DOI: 10.1063/1.3602219

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8.

Spin–spin coupling in 3b2 state of oxyallyl – A comparative study with trimethylenemethane Sathya Perumal, B. Minaev, O. Vahtras and H. Ågren Comput. Theor. Chem., 963 (2011) 51-54 DOI: 10.1016/j.comptc.2010.09.006 Attached: sathya_paper1.pdf

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9.

Theoretical Study of Specific Solvent Effects on the Optical and Magnetic Properties of Copper(II) Acetylacetonate K. J. de Almeida, T. C. Ramalho, Z. Rinkevicius, O. Vahtras, H. Ågren and A. Cesar J. Phys. Chem. A, 115 (8), pp 1331–1339 (2011)

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10.

Experimental and theoretical study of core-valence double photoionization of OCS J. Niskanen, V. Carravetta, O. Vahtras, H. Ågren, H. Aksela, E. Andersson, L. Hedin, P. Linusson, J.H.D. Eland, L. Karlsson, J.-E. Rubensson and R. Feifel Phys. Rev. A, 82, 043436 (2010)

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11.

Modelling The Visible Absorption Spectra of Copper(II) Acetylacetonate by Density Functional Theory. K. J. de Almeida. Z. Rinkevicius, O. Vahtras, A. Cesar and H. Ågren Chem. Phys. Lett. Vol. 492, pp. 14-18 (2010)

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12.

Spin-flip time dependent density functional theory applied to excited states with single, double or mixed electron excitation character Z. Rinkevicius, O. Vahtras and H. Ågren J. Chem. Phys. 133, pp. 114104 (2010)

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13.

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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14.

Conformations, structural transitions and visible near infrared absorption spectra of four-, five- and six-coordinated Cu(II) aqua complexes K. J. de Almeida, N. Arul Murugan, Z. Rinkevicius, H. W. Hugosson, O. Vahtras, A. Cesar and H. Ågren PCCP, vol. 11, 508 (2009) DOI: 10.1039/b806423g

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15.

Time-dependent closed and open-shell density functional theory from the perspective of partitioning techniques and projections Z. Rinkevicius, O. Vahtras and H. Ågren Journal of Molecular Structure: THEOCHEM, vol. 914, pp. 50-59 (2009) DOI: 10.1016/j.theochem.2009.05.032

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16.

Degenerate perturbation theory for electronic g tensors: leading-order relativistic effects Z. Rinkevicius, K. J. de Almeida, C. I. Oprea, O. Vahtras, K. Ruud and H. Ågren JCTC, vol. 4 (11), 1810-1828, (2008).

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17.

Density functional restricted-unrestricted approach for nonlinear properties: Application to electron paramagnetic resonance parameters of square planar copper complexes Z. Rinkevicius, K. J. de Almeida and O. Vahtras J. Chem. Phys. 129, 064109 (2008).

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18.

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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19.

General excitations in time-dependent density functional theory O. Vahtras and Z. Rinkevicius J. Chem. Phys. 126 (2007) 114101

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20.

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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21.

Time-dependent density functional theory for nonlinear properties of open-shell systems Z. Rinkevicius, P. Chandra Jha, C. I. Oprea, O. Vahtras and H. Ågren J. Chem. Phys. 127, 114101 (2007)

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22.

Kohn-Sham time-dependent density functional theory with applications to linear and nonlinear properties D. Jonsson, O. Vahtras, B. Jansik, Z. Rinkevicius, P. Salek and H. Å gren Chapter in the book: "Non-linear optical responses of molecules, solids and liquids: Methods and applications'',M. Papadopoulos, editor, Kluvert, (2005). (2006)

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23.

Time-dependent density functional theory with the generalized restricted-unrestricted approach C. I. Oprea, L. Telyatnyk, Z. Rinkevicius, O. Vahtras and H. Ågren Journal of Chemical Physics, 124, 174103 (2006).

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24.

A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities P. Sałek, T. Helgaker, O. Vahtras, H. Ågren, D. Jonsson and J. Gauss Mol. Phys. 103 (2-3) 439-450 (2005)

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25.

Cubic response functions in time-dependent density functional theory B. Jansik, P. Sałek, D. Jonsson, O. Vahtras and H. Ågren J. Chem. Phys. 122, 054107 (2005)

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26.

Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections C. I. Oprea, Z. Rinkevicius, O. Vahtras, H. Ågren and K. Ruud J. Chem. Phys. , \bf 123, 014101 (2005)

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27.

Restricted density functional response theory for open-shell systems Z. Rinkevicius, L. Telyatnyk and O. Vahtras in Adv. Quant. Chem. (ed. Hans Jensen), vol 50, p. 231, 2005

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28.

Density functional theory for hyperfine coupling constants with the restricted-unrestricted approach Z. Rinkevicius, L. Telyatnyk, O. Vahtras and H. Ågren J. Chem. Phys. 121, 7614 (2004)

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29.

Electronic g-tensors of solvated molecules using the polarizable continuum model Z. Rinkevicius, L. Telyatnyk, K. Ruud and O. Vahtras J. Chem. Phys., \bf 121, 5051 (2004)

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30.

Influence of Hydrogen Bonding in the Paramagnetic NMR Shieldings of Nitronylnitroxide Derivative Molecules L. Telyatnyk, J. Vaara, Z. Rinkevicius and O. Vahtras J. Phys. Chem. B, 108, 1197 (2004)

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31.

Singlet-triplet transitions in three-atomic molecules studied by time-dependent MCSCF and density functional theory B. Minaev, I. Tunell, P. Sałek, O. Loboda, O. Vahtras and H. Ågren Mol. Phys. \bf 102, 1391 (2004)

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32.

Solvent effects on optically detected magnetic resonance in triplet spin labels B. Minaev, O. Loboda, O. Vahtras, K. Ruud and H. Ågren Theor. Chem. Accounts, 111 (2004) 168-175.

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33.

Ab Initio Study of Non-homogeneous Broadening of the Zero-Field Splitting of Triplet Guest Molecules in Dilute Glasses. O. Loboda, B. Minaev, O. Vahtras, K. Ruud and H. Ågren. J. Chem. Phys., 119 (2003) 3120-3129.

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34.

Calculations of nuclear magnetic shielding in paramagnetic molecules Z. Rinkevicius, J. Vaara, L. Telyatnyk and O. Vahtras J. Chem. Phys. 118, 2550 (2003)

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35.

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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36.

CASSCF calculations of triplet-state properties. Applications to benzene derivatives O. Rubio-Pons, O. Loboda, B. Minaev, B. Schimmelpfennig, O. Vahtras and H. Ågren Mol. Phys. 101, Iss. 13, pag. 2103-2114 (2003)

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37.

Density functional theory of nonlinear triplet response properties with applications to phosphorescence I. Tunell, Z. Rinkevicius, O. Vahtras, P. Sałek, T. Helgaker and H. Ågren J. Chem. Phys. 119, 11024 (2003)

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38.

Fine- and hyperfine- structure in three low-lying 3Σ+ states of molecular hydrogen. B. Minaev, O. Loboda, Z. Rinkevicius, O. Vahtras and H. Ågren Mol. Phys., 101: No15, p.2335-2346 (2003)

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39.

Quantum Chemical Calculations of Molecular g-tensors of Biological Radicals. O. Vahtras, M. Engström and H. Ågren in "Fundamental World of Quantum Chemistry", Vol II. 483-524 (Kluwer) (2003)

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40.

Restricted density functional linear response theory calculations of electronic g-tensors Z. Rinkevicius, L. Telyatnyk, P. Sałek, O. Vahtras and H. Ågren J. Chem. Phys., \bf 119, 10489 (2003)

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41.

Restricted density functional theory of linear time-dependent properties in open-shell molecules Z. Rinkevicius, I. Tunell, P. Sałek, O. Vahtras and H.Ågren J. Chem. Phys. 119, 34 (2003)

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42.

Ab Initio Calculations of Zero-Field Splitting Parameters O. Vahtras, O. Loboda, B. Minaev, H. Ågren and K. Ruud Chem. Phys, 279,133-142 (2002) Attached: abinitio.pdf

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43.

Ab Initio Calculatons of Zero-Field Splitting Parameters in Linear Polyacenes O. Loboda, B. Minaev, O. Vahtras, B. Schimmelpfennig and K. Ruud D. Jonsson H. Ågren Chem. Phys. 286, 127 (2002)

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44.

Density-functional theory of linear and nonlinear time-dependent molecular properties P. Sałek, O. Vahtras, T. Helgaker and H. Ågren J. Chem. Phys. 117, 9630 (2002).

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45.

Electronic g-tensors obtained with the mean-field spin-orbit Hamiltonian O. Vahtras, M Engström and B. Schimmelpfennig Chem. Phys. Lett. 351, 424 (2002)

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46.

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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47.

Physical properties and spectra of IO, IO- and HOI species studied by ab initio methods B. Minaev, O. Loboda, O. Vahtras, H. Ågren and E. Bilan Spectrochimica Acta A 58, 1039 (2002) Attached: IO.pdf

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48.

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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49.

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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50.

Hydrogen bonding to the tyrosyl radical analyzed by ab initio g-tensor calculations M Engström, F Himo, A. Gröslund, O. Vahtras, B. Minaev and H. Ågren J. Phys. Chem. A 104, 5149 (2000).

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51.

MCSCF and DFT calculations of EPR parameters of sulfur centered radicals M Engström, O. Vahtras and H. Ågren Chem. Phys. Letters 328, 483 (2000).

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52.

Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings J. Vaara, K. Ruud and O. Vahtras J. Comp. Chem. 20, 1317 (1999)

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53.

Hartree-Fock linear response calculations of g-tensors of substituted benzene radicals M. Engström, O. Vahtras and H. Ågren Chem. Phys. 243, 263 (1999)

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54.

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)

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55.

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

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56.

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

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57.

Second- and third-order spin-orbit contributions to nuclear shielding tensors J. Vaara, K. Ruud and O. Vahtras J. Chem. Phys., 111, 2900 (1999)

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58.

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

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59.

Internuclear Distance Dependence of the Spin-Orbit Coupling Contributions to Proton NMR Chemical Shifts. B. Minaev, J. Vaara, K. Ruud, O. Vahtras and H. Ågren. Chem. Phys. Letters, 295: 455-461 (1998)

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60.

Linear response calculations of electronic g-factors and spin-rotational coupling constants for diatomic molecules with a triplet ground stat M. Engström, B. Minaev, O. Vahtras and H. Ågren Chem. Phys. 237, 149 (1998)

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61.

Quadratic response calculations of the electronic spin-orbit contribution to nuclear shielding tensors J. Vaara, K. Ruud, O. Vahtras, H. Ågren and J. Jokisaari J. Chem. Phys. 109, 1212 (1998)

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62.

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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63.

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

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64.

Ab initio calculations of electronic g-factors by means of multiconfiguration response theory O. Vahtras, B. Minaev and H. Ågren Chem. Phys. Lett. 281, 186 (1997)

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65.

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).

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66.

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

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67.

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)

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68.

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

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69.

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

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70.

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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71.

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

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72.

The hypermagnetizability of molecular oxygen D. Jonsson, P. Norman, O. Vahtras, H. Ågren and A. Rizzo J. Chem. Phys. \bf 106, 8552 (1997)

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73.

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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74.

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)

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75.

Magnetic hyperpolarizabilities in a cubic response formulation D. Jonsson, P. Norman, O. Vahtras and H. Ågren Theor. Chim. Acta, \bf 93, 235 (1996)

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76.

Magnetic phosphorescence of molecular oxygen. A study of the b1Σg+ - X3Σg- transition probability using multiconfiguration response theory. B.F. Minaev, O. Vahtras and H. Ågren Chem. Phys. 208, 299 (1996)

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77.

Non-linear electric and magnetic properties obtained from cubic response functions within the random phase approximation P. Norman, D. Jonsson, O. Vahtras and H. Ågren Chem. Phys. \bf 203, 23 (1996)

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78.

Response theory and calculations of spin-orbit coupling phenomena in molecules H. Ågren, O. Vahtras and B. Minaev Adv. Quant. Chem. \bf 27, 71 (1996)

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79.

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)

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80.

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).

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81.

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)

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82.

Cubic response functions in the Random Phase Approximation P. Norman, D. Jonsson, O. Vahtras and H. Ågren Chem. Phys. Lett. \bf 242, 7 (1995)

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83.

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

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84.

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

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85.

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)

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86.

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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87.

Spin-orbit coupling in the intersystem crossing of the ring-opened oxirane biradical. S. Knuts, B. Minaev, O. Vahtras and H. Ågren. Int. J. Quant. Chem. 55, 23 (1995).

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88.

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)

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89.

The Vegard-Kaplan band and the phosphorescent decay of N2. J. Olsen, B.F. Minaev, O. Vahtras, H. Ågren, P. Jørgensen, H.J. Aa. Jensen and T. Helgaker Chem. Phys. Letters 231, 387 (1995).

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90.

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)

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91.

Direct one-index transformations in multi-configuration response calculations O. Vahtras, H. Ågren and H.J. Aa. Jensen J. Comp. Chem. \bf 15, 573 (1994)

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92.

\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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93.

Radiative lifetimes of triplet spin sublevels of the azabenzenes. H. Ågren, O. Vahtras, Sören Knuts and Poul Jørgensen Chem. Phys. \bf 181, 291 (1994)

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94.

The phosphorescence of benzene obtained by ab initio and semi-empirical calculations. S. Knuts, B.F. Minaev, H. Ågren and O. Vahtras Theor. Chim. Acta 87, 343 (1994).

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95.

Ab initio study of the NMR shielding constants and spin-spin coupling constants in cyclopropene. Andrzej Barszczewicz, Michal Jaszunski, Krystyna Kamielnska-Trela, T. Helgaker, Poul Jørgensen and O. Vahtras Theo. Chim. Acta 87, 19 (1993)

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96.

Direct atomic-orbital-based self-consistent-field calculations of non-linear molecular properties. Application to frequency dependent hyperpolarizabilities of para-nitroanaline H. Ågren, O. Vahtras, H. Koch, T. Helgaker and P. Jørgensen J. Chem. Phys. \bf 98, 6417 (1993)

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97.

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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98.

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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99.

Integral approximations for LCAO-SCF calculations O. Vahtras, J. Almlöf and M. Feyereisen Chem. Phys. Lett. \bf 213, 514 (1993)

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100.

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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101.

Multiconfiguration response theory calculations of singlet and triplet spectra of the azabenzenes. Sören Knuts, O. Vahtras and H. Ågren J. Mol. Struct.:THEOCHEM, \bf 279, 249 (1993)

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102.

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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103.

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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104.

The nuclear spin-spin coupling in N2 and CO. O. Vahtras, H. Ågren, Poul Jørgensen, T. Helgaker and H. Jörgen Aa. Jensen Chem. Phys. Lett. \bf 209, 201 (1993)

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105.

The vibronically induced phosphorescence in benzene B.F. Minaev, S. Knuts, H. Ågren and O. Vahtras Chem. Phys. 175, 245 (1993)

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106.

Very slow spontaneous dissociation of CO2+ observed by means of a heavy ion storage ring. L.H. Andersen, J.H. Posthumus, O. Vahtras, H. Ågren, N. Elander, A. Nunez, A. Scrinzi, M. Natiello and M. Larsson Phys. Rev. Letters, 71, 1812 (1993)

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107.

Indirect nuclear spin-spin coupling constants from multiconfiguration linear response theory O. Vahtras, H. Ågren, Poul Jørgensen, H. Jørgen Aa. Jensen, Søren Padkjær and T. Helgaker J. Chem. Phys. 96, 6120 (1992)

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108.

Multiconfigurational quadratic response functions for singlet and triplet perturbations: The phosphorescence lifetime of formaldehyde. O. Vahtras, H. Ågren, Poul Jørgensen, H. Jorgen Aa. Jensen, T. Helgaker and J. Olsen J. Chem. Phys. 97, 9178 (1992)

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109.

Spin-orbit coupling constants in a multiconfiguration linear response approach O. Vahtras, H. Ågren, P. Jørgensen, H. J. Aa. Jensen, T. Helgaker and J. Olsen J. Chem. Phys. 96, 2118 (1992)

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110.

The second-order energy contribution from the spin-orbit interaction operator to the potential energy curve of Cr2 O. Vahtras, H. Ågren, P. Jørgensen, H. J. Aa. Jensen and T. Helgaker Int. J. Quant. Chem. 41, 729 (1992)

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