Collect. Czech. Chem. Commun.
1978, 43, 1956-1964
https://doi.org/10.1135/cccc19781956
Effect of hydration on hydrogen bond in Li+···H2O···OH-. Ab initio SCF calculations
Ivan Černušák and Miroslav Urban
Individual author index pages
Other CCCC articles of these authors
- Michal Pitoňák*, Francesco Aquilante, Pavel Hobza, Pavel Neogrády, Jozef Noga and Miroslav Urban
Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals
2011, Vol. 76, Issue 6, pp. 713–742 [Abstract] - 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] - Filip Holka, Pavel Neogrády, Miroslav Urban* and Josef Paldus
Hartree-Fock Stability and Broken Symmetry Solutions of O2- and S2- Anions in External Confinement
2007, Vol. 72, Issue 2, pp. 197–222 [Abstract] - Miroslav Medveď*, Ivan Černušák, Stanislav Kedžuch and Jozef Noga
Electric Properties of Cyanoborane Isomers
2005, Vol. 70, Issue 8, pp. 1055–1081 [Abstract] - Pavel Neogrády, Péter G. Szalay, Wolfgang P. Kraemer and Miroslav Urban*
Coupled-Cluster Study of Spectroscopic Constants of the Alkali Metal Diatomics: Ground and the Singlet Excited States of Na2, NaLi, NaK, and NaRb
2005, Vol. 70, Issue 7, pp. 951–978 [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] - Juraj Raab, Andrej Antušek, Stanislav Biskupič and Miroslav Urban*
A Coupled Cluster Study of van der Waals Interactions of the He Atom with CN, NO and O2 Radicals
2004, Vol. 69, Issue 1, pp. 189–212 [Abstract] - Ivan Černušák, Vladimir Kellö* and Andrzej J. Sadlej
Standardized Medium-Size Basis Sets for Calculations of Molecular Electric Properties: Group IIIA
2003, Vol. 68, Issue 2, pp. 211–239 [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] - Miroslav Urban, Pavel Neogrády, Juraj Raab and Geerd H. F. Diercksen
Accuracy Assessment of the ROHF-CCSD(T) Calculationsof Dipole Moments of Small Radicals
1998, Vol. 63, Issue 9, pp. 1409–1430 [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] - 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] - Miroslav Urban, Soňa Hrivnáková and Pavel Hobza
Ab initio study of the (BH)2 dimer
1980, Vol. 45, Issue 12, pp. 3270–3282 [Abstract] - Petr Čársky, Rudolf Zahradník, Miroslav Urban and Vladimír Kellӧ
Ab initio calculations on the equilibrium constant of the reaction NH2- + H2 ⇌ NH3 + H- by the SCF and many-body Rayleigh-Schrӧdinger perturbation theory
1978, Vol. 43, Issue 8, pp. 1965–1973 [Abstract]