- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
P. Čársky
- Hanspeter Huber, J. Pancíř and P. Čársky
Effective search for minima on the ab initio SCF energy hypersurfaces
1977, Vol. 42, Issue 9, pp. 2767–2771 [Abstract] - P. Čársky and J. Málek
CNDO/S and INDO/S calculations on small aluminium compounds
1977, Vol. 42, Issue 9, pp. 2758–2766 [Abstract] - P. Čársky, I. Kozák, V. Kellö and M. Urban
Gaussian basis set for sodium compatible with the Dunning's basis sets for the first row atoms
1977, Vol. 42, Issue 5, pp. 1460–1465 [Abstract] - J. Kuhn, P. Čársky and R. Zahradník
Semiempirical MO calculations on the electronic spectra of conjugated hydrocarbon radicals having degenerate ground states
1974, Vol. 39, Issue 8, pp. 2175–2199 [Abstract] - R. Zahradník, Z. Slanina and P. Čársky
Dimerization of small radicals
1974, Vol. 39, Issue 1, pp. 63–70 [Abstract] - P. Čársky, M. Macháček and R. Zahradník
Open shell CNDO treatments on small inorganic radicals
1973, Vol. 38, Issue 10, pp. 3067–3073 [Abstract] - R. Zahradník, P. Čársky and Z. Slanina
Conjugated radicals. XVIII. Photoelectron spectroscopy as a source of electronic spectral data for radical cations
1973, Vol. 38, Issue 7, pp. 1886–1898 [Abstract] - R. Zahradník and P. Čársky
CNDO treatments on electronic spectra of small molecules
1973, Vol. 38, Issue 7, pp. 1876–1885 [Abstract] - I. Nykl, V. Rejholec, P. Hobza, P. Čársky, R. Zahradník and K. Hafner
Conjugated radicals. XVII. Electronic spectra of radical ions derived from pentaleno[6,6a,1,2-def]heptalene and 2-phenylcyclopent[cd]azulene and semiempirical open shell PPP-like calculations
1973, Vol. 38, Issue 5, pp. 1463–1465 [Abstract] - I. Nykl, A. Fojtík, P. Hobza, P. Čársky, R. Zahradník and T. Shida
Electronic spectra of azulene mononegative and monopositive ions and semiempirical open shell PPP-like calculations
1973, Vol. 38, Issue 5, pp. 1459–1462 [Abstract] - P. Hobza, P. Čársky and R. Zahradník
Conjugated radicals. XVI. Electronic spectra of ortho-semiquinones and remark on the applicability of the LCI-CNDO method to quinones and semiquinones
1973, Vol. 38, Issue 3, pp. 641–644 [Abstract] - P. Čársky, A. Fojtík and R. Zahradník
Conjugated radicals. XV. Correlation of pKa values of protonated substituted nitrobenzene radical anions with extended Hückel MO data
1972, Vol. 37, Issue 8, pp. 2515–2520 [Abstract] - R. Zahradník, V. Rejholec, P. Hobza, P. Čársky and K. Hafner
Conjugated radicals. XIV. Electronic spectra and semiempirical calculations on radical anions of acenaphthylene, fluoranthene and aceheptylene
1972, Vol. 37, Issue 6, pp. 1983–1989 [Abstract] - V. Rejholec, J. Pancíř, P. Čársky and R. Zahradník
Electronic spectra and semiempirical calculations on dinegative ions of acenaphthylene, fluoranthene and aceheptylene
1972, Vol. 37, Issue 6, pp. 1978–1982 [Abstract] - P. Čársky and R. Zahradník
Conjugated radicals. XIII. Ground state properties: Ionization potentials, heats of atomization and spin densities
1972, Vol. 37, Issue 2, pp. 541–549 [Abstract] - P. Čársky, P. Hobza and R. Zahradník
Conjugated radicals. XI. para-Semiquinones
1971, Vol. 36, Issue 3, pp. 1291–1300 [Abstract] - P. Čársky and R. Zahradník
Conjugated radicals. VIII. A comparison of the open shell SCF results obtained by the method of Longuet-Higgins and Pople and by the method of Roothaan
1971, Vol. 36, Issue 2, pp. 961–969 [Abstract] - P. Čársky, O. Chalvet, S. Hünig, D. Scheutzow and R. Zahradník
Conjugated radicals. X. Bisazulenylethylene and related systems
1971, Vol. 36, Issue 2, pp. 560–566 [Abstract] - P. Čársky and R. Zahradník
Conjugated radicals. V. Semiempirical calculations on the electronic spectra of perylene, α,ω-diphenylpolyene and polyphenyl anion radical
1970, Vol. 35, Issue 3, pp. 892–898 [Abstract] - P. Čársky and P. Zuman
The use of simple molecular orbital theory to elucidate the polarographic behaviour of some para-substituted benzonitriles
1969, Vol. 34, Issue 2, pp. 497–503 [Abstract] - P. Čársky, P. Zuman and V. Horák
Fission of activated carbon-nitrogen and carbon-sulfur bonds. VII. Kinetics of ketol formation from α,β-unsaturated ketones in alkaline media
1965, Vol. 30, Issue 12, pp. 4316–4336 [Abstract] - P. Čársky, P. Zuman and V. Horák
Fission of activated carbon-nitrogen and carbon-sulphur bonds. V. Polarographic study of elimination of β-morpholino propiophenone
1964, Vol. 29, Issue 12, pp. 3044–3056 [Abstract]
The following name might also represent this author:
Petr Čársky
- 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] - Petr Čársky, Vojtěch Hrouda, Vladimír Sychrovský, Ivan Hubač, Peter Babinec, Pavol Mach, Ján Urban and Jozef Mášik
Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory
1995, Vol. 60, Issue 9, pp. 1419–1428 [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] - 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] - 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] - 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] - 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]
