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Vladimir Kellö
Vladimir Kellö
professor of physical chemistry and chemical physics Comenius University Bratislava
Verificeret mail på uniba.sk - Startside
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Electron correlation in molecules
M Urban, I Černušák, V Kellö, J Noga
Methods in computational chemistry, 117-250, 1987
252*1987
MOLCAS version 2
K Anderson, MRA Blomberg, MP Fülscher, V Kellö, R Lindh, ...
User's Guide, 1991
248*1991
MOLCAS version 3
K Andersson, MRA Blomberg, MP Fülscher, V Kellö, R Lindh, ...
University of Lund, Sweden, 1994
1941994
Picture change and calculations of expectation values in approximate relativistic theories
V Kellö, AJ Sadlej
International journal of quantum chemistry 68 (3), 159-174, 1998
1681998
Ionization potentials and electron affinities of Cu, Ag, and Au: Electron correlation and relativistic effects
P Neogrády, V Kellö, M Urban, AJ Sadlej
International journal of quantum chemistry 63 (2), 557-565, 1997
1361997
Improved mechanistic model of the atmospheric redox chemistry of mercury
V Shah, DJ Jacob, CP Thackray, X Wang, EM Sunderland, TS Dibble, ...
Environmental Science & Technology 55 (21), 14445-14456, 2021
1082021
Theoretical study of PbO and the PbO anion
M Iliaš, HJA Jensen, V Kellö, BO Roos, M Urban
Chemical physics letters 408 (4-6), 210-215, 2005
1042005
Relativistic effects on electric properties of many‐electron systems in spin‐averaged Douglas–Kroll and Pauli approximations
V Kellö, AJ Sadlej, BA Hess
The Journal of chemical physics 105 (5), 1995-2003, 1996
1011996
The fourth order diagrammatic MB‐RSPT calculations of the correlation energy of ten electron systems
M Urban, I Hubac̆, V Kellö, J Noga
The Journal of Chemical Physics 72 (5), 3378-3385, 1980
1011980
Relativistic effects in atomic and molecular properties
M Iliaš, V Kellö, M Urban
Acta Physica Slovaca 60 (3), 259-391, 2010
952010
Standardized basis sets for high-level-correlated relativistic calculations of atomic and molecular electric properties in the spin-averaged Douglas-Kroll (no-pair …
V Kellö, AJ Sadlej
Theoretica chimica acta 94 (2), 93-104, 1996
861996
Estimates of relativistic contributions to molecular properties
V Kellö, AJ Sadlej
The Journal of chemical physics 93 (11), 8122-8132, 1990
861990
Electric quadrupole moment of the 27Al nucleus: Converging results from the AlF and AlCl molecules and the Al atom
V Kellö, AJ Sadlej, P Pyykkö, D Sundholm, M Tokman
Chemical physics letters 304 (5-6), 414-422, 1999
831999
Polarized basis sets for high-level-correlated calculations of molecular electric properties
V Kellö, AJ Sadlej
Theoretica chimica acta 91 (5), 353-371, 1995
761995
Perturbation theory of the electron correlation effects for atomic and molecular properties. VII. Complete fourth‐order MBPT study of the dipole moment and dipole …
GHF Diercksen, V Kellö, AJ Sadlej
The Journal of chemical physics 79 (6), 2918-2923, 1983
741983
Standardized medium-size basis sets for calculations of molecular electric properties: Group IIIA
I Černušák, V Kellö, AJ Sadlej
Collection of Czechoslovak chemical communications 68 (2), 211-239, 2003
712003
Inclusion of mean-field spin–orbit effects based on all-electron two-component spinors: Pilot calculations on atomic and molecular properties
M Iliaš, V Kellö, L Visscher, B Schimmelpfennig
The Journal of Chemical Physics 115 (21), 9667-9674, 2001
592001
Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives
L Serrano-Andrés, A Avramopoulos, J Li, P Labéguerie, D Bégué, V Kellö, ...
The Journal of chemical physics 131 (13), 134312, 2009
572009
Polarization functions for gaussian basis sets for the first row atoms
M Urban, V Kellö, P Čársky
Theoretica chimica acta 45 (3), 205-213, 1977
571977
Medium-size polarized basis sets for high-level-correlated calculations of molecular electric properties
V Kellö, AJ Sadlej
Theoretica chimica acta 83 (5), 351-366, 1992
531992
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Artikler 1–20