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V. Veryazov · SciRah

Researcher profile · Semantic Scholar

V. Veryazov

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V. Veryazov — researcher profile on SciRah

h-index: 26
Works: 71
Citations: 10K

Most-cited papers

MOLCAS 7: The Next Generation
F. Aquilante, L. De Vico, Nicolas Ferré, Giovanni Ghigo +10 more
2010Journal of Computational Chemistry1,394 citations
Semantic Scholar
Molcas: a program package for computational chemistry.
G. Karlström, R. Lindh, P. Malmqvist, B. Roos +7 more
20031,382 citations
Semantic Scholar
Main group atoms and dimers studied with a new relativistic ANO basis set
B. Roos, R. Lindh, P. Malmqvist, V. Veryazov +1 more
20041,287 citations
Semantic Scholar
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F. Aquilante, J. Autschbach, Rebecca K. Carlson, L. Chibotaru +34 more
2016Journal of Computational Chemistry1,281 citations Open access
Semantic Scholar
New relativistic ANO basis sets for transition metal atoms.
B. Roos, R. Lindh, P. Malmqvist, V. Veryazov +1 more
2005Journal of Physical Chemistry A940 citations
Semantic Scholar
OpenMolcas: From source code to insight.
Ignacio Fdez Galván, M. Vacher, A. Alavi, C. Angeli +59 more
2019Journal of Chemical Theory and Computation878 citations Open access
Semantic Scholar
New relativistic atomic natural orbital basis sets for lanthanide atoms with applications to the Ce diatom and LuF3.
B. Roos, R. Lindh, P. Malmqvist, V. Veryazov +2 more
2008Journal of Physical Chemistry A405 citations Open access
Semantic Scholar
Modern quantum chemistry with [Open]Molcas.
F. Aquilante, J. Autschbach, Alberto Baiardi, S. Battaglia +35 more
2020Journal of Chemical Physics387 citations Open access
Semantic Scholar
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, A. Alavi, F. Aleotti +104 more
2023Journal of Chemical Theory and Computation351 citations Open access
Semantic Scholar
Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers
B. Roos, V. Veryazov, Per-Olof Widmark
2004313 citations
Semantic Scholar
2MOLCAS as a development platform for quantum chemistry software
V. Veryazov, Per-Olof Widmark, L. Serrano-Andrés, R. Lindh +1 more
2004297 citations
Semantic Scholar
New relativistic ANO basis sets for actinide atoms
B. Roos, R. Lindh, P. Malmqvist, V. Veryazov +1 more
2005260 citations
Semantic Scholar
How to Select Active Space for Multiconfigurational Quantum Chemistry
V. Veryazov, P. Malmqvist, B. Roos
2011234 citations
Semantic Scholar
Utilizing high performance computing for chemistry: parallel computational chemistry.
W. D. de Jong, E. Bylaska, N. Govind, C. Janssen +6 more
2010Physical Chemistry, Chemical Physics - PCCP87 citations
Semantic Scholar
Atomistic modeling of crystal structure of Ca1.67SiHx
G. Kovačević, B. Persson, L. Nicoleau, A. Nonat +1 more
201577 citations Open access
Semantic Scholar
Not innocent: verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole.
B. Roos, V. Veryazov, J. Conradie, P. Taylor +1 more
2008Journal of Physical Chemistry B68 citations
Semantic Scholar
MOLCAS—a software for multiconfigurational quantum chemistry calculations
F. Aquilante, T. B. Pedersen, V. Veryazov, R. Lindh
201365 citations
Semantic Scholar
The ANO-R Basis Set.
J. Zobel, Per-Olof Widmark, V. Veryazov
2019Journal of Chemical Theory and Computation62 citations
Semantic Scholar
Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation Theory.
S. Vancoillie, P. Malmqvist, V. Veryazov
2016Journal of Chemical Theory and Computation57 citations
Semantic Scholar
Bond length and bond order in one of the shortest Cr-Cr bonds.
G. La Macchia, F. Aquilante, V. Veryazov, B. Roos +1 more
2008Inorganic Chemistry56 citations Open access
Semantic Scholar
A theoretical study of singlet low-energy excited states of the benzene dimer
T. Rocha-Rinza, L. De Vico, V. Veryazov, B. Roos
200651 citations
Semantic Scholar
How accurate is the CASPT2 method?
Z. Azizi, B. Roos, V. Veryazov
2006Physical Chemistry, Chemical Physics - PCCP48 citations
Semantic Scholar
Hydration of trimethylamine-N-oxide and of dimethyldodecylamine-N-oxide: An ab initio study
V. Kocherbitov, V. Veryazov, O. Söderman
200744 citations
Semantic Scholar
Quantum-chemical definition of the atomic valence in molecules and crystals
R. Evarestov, V. Veryazov
199132 citations
Semantic Scholar
Parallelization of a multiconfigurational perturbation theory
S. Vancoillie, Mickaël G. Delcey, R. Lindh, Victor P. Vysotskiy +2 more
2013Journal of Computational Chemistry31 citations
Semantic Scholar
Luscus: molecular viewer and editor for MOLCAS
G. Kovačević, V. Veryazov
2015Journal of Cheminformatics29 citations Open access
Semantic Scholar
Correction to "The ANO-R Basis Set".
J. Zobel, Per-Olof Widmark, V. Veryazov
2021Journal of Chemical Theory and Computation25 citations Open access
Semantic Scholar
Revised Atomistic Models of the Crystal Structure of C–S–H with high C/S Ratio
G. Kovačević, L. Nicoleau, A. Nonat, V. Veryazov
201624 citations Open access
Semantic Scholar
Analytical Gradients of the Second-Order Moller-Plesset Energy Using Cholesky Decompositions
Jonas Boström, V. Veryazov, F. Aquilante, T. B. Pedersen +1 more
201422 citations
Semantic Scholar
Investigation of the chemical bonding in nickel mixed oxides from electronic structure calculations
J. Choisnet, R. Evarestov, I. I. Tupitsyn, V. Veryazov
199622 citations
Semantic Scholar
Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor
I. Schapiro, Moussa Gueye, M. Paolino, S. Fusi +8 more
2019Photochemical and Photobiological Sciences19 citations
Semantic Scholar
A combined theoretical and experimental study of simple terminal group 6 nitride and phosphide N[triple bond]MX3 and P[triple bond]MX3 molecules.
Xue-Feng Wang, L. Andrews, R. Lindh, V. Veryazov +1 more
2008Journal of Physical Chemistry A19 citations
Semantic Scholar
Automatic procedure for generating symmetry adapted wavefunctions
M. Johansson, V. Veryazov
2017Journal of Cheminformatics18 citations Open access
Semantic Scholar
The binatural orbitals of electronic transitions
P. Malmqvist, V. Veryazov
201218 citations
Semantic Scholar
The Electronic Structure of Copper Oxide Crystalline Compounds. I. LUC-CNDO Approach to the Electronic Structure of Cu2O and CuO Crystals
R. Evarestov, V. Veryazov
199015 citations
Semantic Scholar
The Electronic Structure of Copper Oxide Crystalline Compounds. II. Chemical Bonding in Copper–Oxygen Crystals†
R. Evarestov, V. Veryazov
199015 citations
Semantic Scholar
Atomistic modeling of crystal structure of Ca 1 . 67
B. Persson, L. Nicoleau, A. Nonat, V. Veryazov
201414 citations
Semantic Scholar
New compact density matrix averaged ANO basis sets for relativistic calculations.
Per-Olof Widmark, J. Zobel, Victor P. Vysotskiy, T. Tsuchiya +1 more
2018Journal of Chemical Physics13 citations
Semantic Scholar
THE ELECTRONIC STRUCTURE OF CRYSTALLINE LEAD OXIDES. I, CRYSTAL STRUCTURE AND LUC-CNDO CALCULATIONS
R. Evarestov, V. Veryazov
199113 citations
Semantic Scholar
In Search of the Reason for the Breathing Effect of MIL53 Metal-Organic Framework: An ab Initio Multiconfigurational Study
O. Weser, V. Veryazov
2017Frontiers in Chemistry12 citations Open access
Semantic Scholar
Electronic structure and chemical bonding in Bi2O3
R. Evarestov, V. O. Shapovalov, V. Veryazov
199411 citations
Semantic Scholar
Hydrogen bonding in glassy trehalose-water system: Insights from density functional theory and molecular dynamics simulations.
V. Kocherbitov, Denis Music, V. Veryazov
2024Journal of Chemical Physics10 citations Open access
Semantic Scholar
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes?
E. D. Larsson, G. Dong, V. Veryazov, U. Ryde +1 more
2019Dalton Transactions9 citations Open access
Semantic Scholar
Hartree-Fock study of the chemical bonding in crystalline titanium oxides : TiO2, Ti2O3, TiO
R. Evarestov, A. V. Leko, V. Veryazov
19979 citations
Semantic Scholar
The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4
J. Choisnet, R. Evarestov, I. I. Tupitsin, V. Veryazov
19939 citations
Semantic Scholar
The dipeptide conformations of all twenty amino acid types in the context of biosynthesis
R. Bywater, V. Veryazov
2015SpringerPlus8 citations Open access
Semantic Scholar
The preferred conformation of dipeptides in the context of biosynthesis
R. Bywater, V. Veryazov
2013Die Naturwissenschaften8 citations
Semantic Scholar
Convergence of Electronic Structure Properties in Ionic Oxides Within a Fragment Approach
E. D. Larsson, V. Veryazov
2022Frontiers in Chemistry7 citations Open access
Semantic Scholar
The Electronic Structure of Crystalline Lead Oxides : II. Chemical Bonding in the Crystalline Lead Oxides
R. Evarestov, V. Veryazov
19917 citations
Semantic Scholar
Molcas 8: MOLCAS 8: New Capabilities for Multiconﬁgurational Quantum Chemical Calculations across the Periodic Table.
F. Aquilante, J. Autschbach, Rebecca K. Carlson, L. Chibotaru +36 more
20156 citations
Semantic Scholar

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