Collect. Czech. Chem. Commun.
1995, 60, 1419-1428
https://doi.org/10.1135/cccc19951419
Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory
Petr Čárskya, Vojtěch Hroudaa, Vladimír Sychrovskýa, Ivan Hubačb, Peter Babinecb, Pavol Machb, Ján Urbanb and Jozef Mášikb
a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic
b Division of Chemical Physics, Comenius University, 842 15 Bratislava, Slovak Republic
Individual author index pages
- Petr Čársky
- Vojtěch Hrouda
- Vladimír Sychrovský
- Ivan Hubač
- Peter Babinec
- Pavol Mach
- Ján Urban
- Jozef Mášik
Other CCCC articles of these authors
- Michal Šála, Milan Dejmek, Eliška Procházková, Hubert Hřebabecký, Jiří Rybáček, Martin Dračínský, Pavel Novák, Šárka Rosenbergová, Jiří Fukal, Vladimír Sychrovský, Ivan Rosenberg and Radim Nencka
Novel conformationally locked nucleosides and oligonucleotides based on bicyclo[3.2.1]octane scaffold as a pseudosugar moiety
Symposium Series 2014, Vol. 14, pp. 379–380 [Abstract]
Published online 2015-07-06 23:09:07 - Libor Veis, Petr Čársky, Jiří Pittner and Josef Michl*
Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C5H2n, n = 0-4
2008, Vol. 73, Issue 11, pp. 1525–1551 [Abstract] - Oscar Rey Puiggros, Jiří Pittner*, Petr Čársky*, Philipp Stampfuss and Wolfgang Wenzel
Multireference Brillouin-Wigner Coupled Cluster Singles and Doubles (MRBWCCSD) and Multireference Doubles Configuration Interaction (MRD-CI) Calculations for the Bergman Cyclization Reaction
2003, Vol. 68, Issue 12, pp. 2309–2321 [Abstract] - Petr Čársky and Tomáš Reschel
Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Means of the Faddeeva Function and Its Derivatives
1998, Vol. 63, Issue 8, pp. 1264–1284 [Abstract] - Jozef Mášik, Pavel Mach, Ján Urban, Martin Polášek, Peter Babinec and Ivan Hubač
Single-Root Multireference Brillouin-Wigner Coupled-Cluster Theory. Rotational Barrier of the Ethylene Molecule
1998, Vol. 63, Issue 8, pp. 1213–1222 [Abstract] - Jaroslav Litera, Miloš Buděšínský, Ján Urban and Milan Souček
Peptide Inhibitors of Aspartic Proteinases with Hydroxyethylene Isostere Replacement of Peptide Bond. I. Preparation of Four Diastereoisomeric (2R or 2S,4R or 4S,5S)-2-Benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoic Acids
1998, Vol. 63, Issue 2, pp. 231–244 [Abstract] - Jozef Mášik and Ivan Hubač
Comparison of the Brillouin-Wigner Coupled Cluster Theory with the Standard Coupled Cluster Theory. Cancellation of Disconnected Terms in the Brillouin-Wigner Coupled Cluster Theory
1997, Vol. 62, Issue 6, pp. 829–842 [Abstract] - Milan Souček and Ján Urban
An Efficient Method for Preparation of Optically Active N-Protected α-Amino Aldehydes from N-Protected α-Amino Alcohols
1995, Vol. 60, Issue 4, pp. 693–696 [Abstract] - Viliam Klimo, Martina Bittererová, Stanislav Biskupič, Ján Urban and Miroslav Micov
Temperature Dependences in the O + OH → O2 + H Reaction. Quasiclassical Trajectory Calculation
1993, Vol. 58, Issue 2, pp. 234–243 [Abstract] - Ladislav Češpiva, Vlasta Bonačič-Koutecký, Jaroslav Koutecký, Per Jensen, Vojtěch Hrouda, Petr Čársky, Vladimír Špirko and Pavel Hobza
Ab initio Calculations of the Rotation-Vibration Spectrum of Na3+
1993, Vol. 58, Issue 1, pp. 24–28 [Abstract] - Milan Souček, Ján Urban and David Šaman
Preparation of N-protected α-amino alcohols by acetoxyborohydride reduction of N-protected α-amino acid esters
1990, Vol. 55, Issue 3, pp. 761–765 [Abstract] - B. Andes Hess, Jr., Jiani Hu, Lawrence J. Schaad and Petr Čársky
The computation of vibrational spectra of triplet species
1988, Vol. 53, Issue 9, pp. 1981–1988 [Abstract] - Ján Urban, Petr Kuzmič, David Šaman and Milan Souček
Regioselectivity of nucleophilic aromatic photosubstitution in the biphenyl series. Photohydrolysis of some dimethoxynitrobiphenyls
1987, Vol. 52, Issue 10, pp. 2482–2491 [Abstract] - Ján Urban, Viliam Klimo and Jozef Tiňo
Quasiclassical trajectory study of the CH2 + O2 reaction
1987, Vol. 52, Issue 2, pp. 535–540 [Abstract] - Vladimír Špirko, Svatopluk Civiš, Stanislav Beran, Petr Čársky and Jürgen Fabian
Reduced double-minimum potential curves for XY3 pyramidal molecules
1985, Vol. 50, Issue 7, pp. 1519–1536 [Abstract] - Ján Urban, Viliam Klimo and Jozef Tiňo
Quantum chemical modelling of reactions in hydrocarbon combustion. Study of the CH4 + O2 reactions
1984, Vol. 49, Issue 6, pp. 1440–1447 [Abstract] - Ján Urban, Viliam Klimo and Jozef Tiňo
Quantum chemical modelling of the reactions participating in hydrocarbon combustion. Production of the H atoms
1984, Vol. 49, Issue 6, pp. 1432–1439 [Abstract] - Joachim Sauer, Petr Čársky and Rudolf Zahradník
INDO/S calculations on simple silicon compounds and some silicon organic molecules
1982, Vol. 47, Issue 4, pp. 1149–1168 [Abstract] - Ivan Kozák, Vladimír Špirko and Petr Čársky
Ab initio calculations of the ground state potential function of the hydroxyl anion by means of the many-body Rayleigh-Schrödinger perturbation theory
1981, Vol. 46, Issue 11, pp. 2595–2599 [Abstract] - Ivan Kozák and Petr Čársky
Ab initio calculation of the equilibrium constant of the reaction Na + H2O ⇌ NaOH + H
1981, Vol. 46, Issue 9, pp. 2146–2148 [Abstract] - Petr Čársky and Ivan Hubač
Correlation energy in triplet electronic states. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism
1981, Vol. 46, Issue 6, pp. 1324–1331 [Abstract] - Stanislav Miertuš, Ondrej Kyseľ and Pavol Mach
Association of radical anions with alkali metal cations; II. Quantum-chemical study of the associates of glyoxal, nitrobenzene and fluorenone with lithium
1980, Vol. 45, Issue 2, pp. 351–359 [Abstract] - Stanislav Miertuš, Ondrej Kyseľ and Pavol Mach
Association of radical anions with alkali metal cations; I. Modified π(PPP-like) method for the investigation of ion pairs
1980, Vol. 45, Issue 2, pp. 339–350 [Abstract] - Pavel Hobza, Petr Čársky and Rudolf Zahradník
The dimer (HCl)2: Stationary points on the SCF 4-31G energy hypersurface and the role of entropy in the dimer formation
1979, Vol. 44, Issue 12, pp. 3458–3463 [Abstract] - Petr Čársky
Quantum mechanical tunnelling in the processes D + H2 → DH + H and CH4 + H → CH3 + H2. Eckart's tunnelling corrections for rate constants given by ab initio calculations
1979, Vol. 44, Issue 12, pp. 3452–3457 [Abstract] - Dietmar Heidrich, Pavel Hobza, Petr Čársky and Rudolf Zahradník
Effect of correlation energy on the stability of classical and nonclassical structures of protonated benzene
1978, Vol. 43, Issue 11, pp. 3020–3023 [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] - Pavel Hobza, Petr Čársky and Rudolf Zahradník
Semiempirical EPCE-F2σ correlation energies for Van der Waals complexes and energies of reaction
1978, Vol. 43, Issue 3, pp. 676–680 [Abstract]