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- 2007
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Mark
Ab initio characterization of C-5
(
- Contribution to journal › Article
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Mark
Hydration of trimethylamine-N-oxide and of dimethyldodecylamine-N-oxide: An ab initio study
(
- Contribution to journal › Article
- 2006
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Mark
A theoretical study of singlet low-energy excited states of the benzene dimer
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- Contribution to journal › Article
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Mark
How accurate is the CASPT2 method?
(
- Contribution to journal › Article
- 2005
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Mark
New relativistic ANO basis sets for actinide atoms
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- Contribution to journal › Article
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Mark
New relativistic ANO basis sets for transition metal atoms
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
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Mark
2MOLCAS as a development platform for quantum chemistry software
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- Contribution to journal › Article
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Mark
Main group atoms and dimers studied with a new relativistic ANO basis set
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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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
(
- Contribution to journal › Article
- 2003
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Mark
Molcas: a program package for computational chemistry.
2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239(
- Contribution to journal › Article