Valera Veryazov
Valera Veryazov
Verified email at teokem.lu.se - Homepage
Title
Cited by
Cited by
Year
MOLCAS: a program package for computational chemistry
G Karlström, R Lindh, PÅ Malmqvist, BO Roos, U Ryde, V Veryazov, ...
Computational Materials Science 28 (2), 222-239, 2003
18022003
MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
16272010
Main group atoms and dimers studied with a new relativistic ANO basis set
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
The Journal of Physical Chemistry A 108 (15), 2851-2858, 2004
11902004
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
10822016
New relativistic ANO basis sets for transition metal atoms
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
The Journal of Physical Chemistry A 109 (29), 6575-6579, 2005
8772005
MOLCAS Version 5.4
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ...
Lund University, Sweden 23, 2002
5062002
2MOLCAS as a development platform for quantum chemistry software
V Veryazov, PO Widmark, L Serrano‐Andrés, R Lindh, BO Roos
International journal of quantum chemistry 100 (4), 626-635, 2004
3422004
New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark, AC Borin
The Journal of Physical Chemistry A 112 (45), 11431-11435, 2008
3242008
Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers
BO Roos, V Veryazov, PO Widmark
Theoretical Chemistry Accounts 111 (2), 345-351, 2004
2802004
New relativistic ANO basis sets for actinide atoms
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
Chemical physics letters 409 (4-6), 295-299, 2005
2352005
OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
2082019
How to select active space for multiconfigurational quantum chemistry?
V Veryazov, PÅ Malmqvist, BO Roos
International Journal of Quantum Chemistry 111 (13), 3329-3338, 2011
1872011
MOLCAS, version 6.0
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, Y Carissan, ...
Lund University, Sweden, 2004
1082004
Multiconfigurational Quantum Chemistry
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
Wiley, 2016
104*2016
Not innocent: verdict from Ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole
BO Roos, V Veryazov, J Conradie, PR Taylor, A Ghosh
The Journal of Physical Chemistry B 112 (45), 14099-14102, 2008
902008
Utilizing high performance computing for chemistry: parallel computational chemistry
WA De Jong, E Bylaska, N Govind, CL Janssen, K Kowalski, T Müller, ...
Physical Chemistry Chemical Physics 12 (26), 6896-6920, 2010
812010
MOLCAS—a software for multiconfigurational quantum chemistry calculations
F Aquilante, TB Pedersen, V Veryazov, R Lindh
Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (2), 143-149, 2013
792013
How accurate is the CASPT2 method?
Z Azizi, BO Roos, V Veryazov
Physical Chemistry Chemical Physics 8 (23), 2727-2732, 2006
612006
Bond length and bond order in one of the shortest Cr− Cr bonds
G La Macchia, F Aquilante, V Veryazov, BO Roos, L Gagliardi
Inorganic chemistry 47 (24), 11455-11457, 2008
572008
Atomistic modeling of crystal structure of Ca1. 67SiHx
G Kovačević, B Persson, L Nicoleau, A Nonat, V Veryazov
Cement and concrete research 67, 197-203, 2015
562015
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