Valera Veryazov
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- 2005
-
Mark
New relativistic ANO basis sets for actinide atoms
(
- Contribution to journal › Article
- 2004
-
Mark
2MOLCAS as a development platform for quantum chemistry software
(
- 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
(
- Contribution to journal › Article
-
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
- 2003
-
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
-
Mark
Molcas programmer’s guide
2003)(
- Book/Report › Report
- 2000
-
Mark
Local characteristics of the electronic structure of molecular systems predicted by the unrestricted Hartree-Fock method
(
- Contribution to journal › Article
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Mark
Local characteristics of the electronic structure of molecular systems predicted by the unrestricted Hartree-Fock method
(
- Contribution to journal › Article
- 1999
-
Mark
Local characteristics of crystal electronic structure in the Hartree-Fock method
(
- Contribution to journal › Article
- 1998
-
Mark
Unrestricted HF Calculations of Crystals with Strongly Correlated d-Electron Subsystem : Chemical Bonding in Ti2O3 Crystal
(
- Contribution to journal › Letter