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Valera Veryazov
Valera Veryazov
Verified email at teokem.lu.se - Homepage
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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
19082003
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
17192010
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
15102004
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
14462016
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
10952005
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
7132019
MOLCAS Version 5.4
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ...
Lund University, Sweden 23, 2002
635*2002
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
4262008
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
3732004
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
3672004
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
3272020
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
2942005
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
2612011
Multiconfigurational Quantum Chemistry
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
Wiley, 2016
169*2016
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
1002010
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
942008
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
862013
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
822015
How accurate is the CASPT2 method?
Z Azizi, BO Roos, V Veryazov
Physical Chemistry Chemical Physics 8 (23), 2727-2732, 2006
692006
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
612008
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