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2008
Mark A combined theoretical and experimental study of simple terminal group 6 nitride and phosphide N MX3 and P MX3 molecules
Wang, Xuefeng ; Andrews, Lester ; Lindh, Roland ^LU ; Veryazov, Valera ^LU and Roos, Björn ^LU (2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(35). p.8030-8037
- Contribution to journal › Article
2007
Mark Ab initio characterization of C-5
Masso, H. ; Veryazov, Valera ^LU ; Malmqvist, Per-Åke ^LU ; Roos, Björn ^LU and Senent, M. L. (2007) In Journal of Chemical Physics 127(15).
- Contribution to journal › Article
Mark Hydration of trimethylamine-N-oxide and of dimethyldodecylamine-N-oxide: An ab initio study
Kocherbitov, Vitaly ^LU ; Veryazov, Valera ^LU and Söderman, Olle ^LU (2007) In Journal of molecular structure. Theochem 808(1-3). p.111-118
- Contribution to journal › Article
2006
Mark A theoretical study of singlet low-energy excited states of the benzene dimer
Rocha-Rinza, Tomas ^LU ; De Vico, Luca ^LU ; Veryazov, Valera ^LU and Roos, Björn ^LU (2006) In Chemical Physics Letters 426(4-6). p.268-272
- Contribution to journal › Article
Mark How accurate is the CASPT2 method?
Azizi, Zahra ^LU ; Roos, Björn ^LU and Veryazov, Valera ^LU (2006) In Physical Chemistry Chemical Physics 8(23). p.2727-2732
- Contribution to journal › Article
2005
Mark New relativistic ANO basis sets for actinide atoms
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2005) In Chemical Physics Letters 409(4-6). p.295-299
- Contribution to journal › Article
Mark New relativistic ANO basis sets for transition metal atoms
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579
- Contribution to journal › Article
2004
Mark 2MOLCAS as a development platform for quantum chemistry software
Veryazov, Valera ^LU ; Widmark, Per-Olof ^LU ; Serrano-Andres, Luis ; Lindh, Roland ^LU and Roos, Björn ^LU (2004) In International Journal of Quantum Chemistry 100(4). p.626-635
- Contribution to journal › Article
Mark Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers
Roos, Björn ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2004) In Theoretical Chemistry Accounts 111(2-6). p.345-351
- Contribution to journal › Article
Mark Main group atoms and dimers studied with a new relativistic ANO basis set
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(15). p.2851-2858
- Contribution to journal › Article

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