Collect. Czech. Chem. Commun.
2003, 68, 211-239
https://doi.org/10.1135/cccc20030211
Standardized Medium-Size Basis Sets for Calculations of Molecular Electric Properties: Group IIIA
Ivan Černušáka, Vladimir Kellöa,* and Andrzej J. Sadlejb
a Department of Physical Chemistry, Faculty of Sciences, Comenius University, Mlynska dolina, SK-842 15 Bratislava, Slovakia
b Department of Quantum Chemistry, Institute of Chemistry, Nicolaus Copernicus University, PL-87 100 Torun, Poland
Individual author index pages
Other CCCC articles of these authors
- Ivan Černušák*, Jozef Federič, Pavel Jungwirth and Milan Uhlár
Effects of micro-hydration in proton transfer from H2S·NO+ complex to water: Ab initio and molecular dynamics study
2011, Vol. 76, Issue 5, pp. 585–603 [Abstract] - Katarína Mečiarová, Laurent Cantrel and Ivan Černušák*
Thermodynamic Data of Iodine Reactions Calculated by Quantum Chemistry. Training Set of Molecules
2008, Vol. 73, Issue 10, pp. 1340–1356 [Abstract] - Milan Uhlár and Ivan Černušák*
Gas-Phase Clustering of NO+ with H2S and H2O
2007, Vol. 72, Issue 8, pp. 1122–1138 [Abstract] - Ivan Černušák*, Martina Čukovičová, Alexandra A. Asiama, Susan K. Gregurick, Paul A. Hoover, Sarah C. Tsay and Joel F. Liebman*
The Absolute Entropies of Alkali Metal Borides. Simple Patterns and High-Level Calculations
2007, Vol. 72, Issue 2, pp. 269–277 [Abstract] - Vladimir Kellö* and Andrzej J. Sadlej
The Nuclear Quadrupole Moment of 14N from Accurate Electric Field Gradient Calculations and Microwave Spectra of NP Molecule
2007, Vol. 72, Issue 1, pp. 64–82 [Abstract] - Miroslav Medveď*, Ivan Černušák, Stanislav Kedžuch and Jozef Noga
Electric Properties of Cyanoborane Isomers
2005, Vol. 70, Issue 8, pp. 1055–1081 [Abstract] - Andrzej J. Sadlej
Infinite-Order Regular Approximation by the Metric Perturbation
2005, Vol. 70, Issue 5, pp. 677–688 [Abstract] - Ivan Černušák*, Susan K. Gregurick, Marjorie Roswell, Carol A. Deakyne, H. Donald Brooke Jenkins and Joel F. Liebman*
Additivity of Absolute Entropies
2004, Vol. 69, Issue 1, pp. 213–230 [Abstract] - Ivan Černušák*, Alena Zavažanová, Juraj Raab and Pavel Neogrády
Group IIIa Hydrides XH2 and XH2- (X = B, Al, Ga): Electron Affinities and Singlet-Triplet Splittings Revisited
2003, Vol. 68, Issue 1, pp. 75–88 [Abstract] - Andrzej J. Sadlej, Ota Bludský and Vladimír Špirko
Vibrational Dynamics of the H2O . HF Complex. Potential Energy and Electric Dipole Moment Surfaces
1993, Vol. 58, Issue 12, pp. 2813–2830 [Abstract] - Ivan Černušák and Miroslav Urban
Effect of electron correlation on SN2 activation barriers. Fourth-order MBPT calculations
1988, Vol. 53, Issue 10, pp. 2239–2249 [Abstract] - Andrzej J. Sadlej
Medium-size polarized basis sets for high-level correlated calculations of molecular electric properties
1988, Vol. 53, Issue 9, pp. 1995–2016 [Abstract] - Ivan Černušák and Miroslav Urban
Monte Carlo calculations of solvent effect in the reaction F- + CH3F = F...CH3....F-
1984, Vol. 49, Issue 8, pp. 1854–1868 [Abstract] - Ivan Černušák and Miroslav Urban
Effect of hydration on hydrogen bond in Li+···H2O···OH-. Ab initio SCF calculations
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