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 | 194 | 1994 |
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 | 168 | 1998 |
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 | 136 | 1997 |
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 | 108 | 2021 |
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 | 104 | 2005 |
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 | 101 | 1996 |
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 | 101 | 1980 |
Relativistic effects in atomic and molecular properties M Iliaš, V Kellö, M Urban Acta Physica Slovaca 60 (3), 259-391, 2010 | 95 | 2010 |
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 | 86 | 1996 |
Estimates of relativistic contributions to molecular properties V Kellö, AJ Sadlej The Journal of chemical physics 93 (11), 8122-8132, 1990 | 86 | 1990 |
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 | 83 | 1999 |
Polarized basis sets for high-level-correlated calculations of molecular electric properties V Kellö, AJ Sadlej Theoretica chimica acta 91 (5), 353-371, 1995 | 76 | 1995 |
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 | 74 | 1983 |
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 | 71 | 2003 |
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 | 59 | 2001 |
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 | 57 | 2009 |
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 | 57 | 1977 |
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 | 53 | 1992 |