Collect. Czech. Chem. Commun.
2008, 73, 1525-1551
https://doi.org/10.1135/cccc20081525
Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C5H2n, n = 0-4
Libor Veisa, Petr Čárskya, Jiří Pittnera and Josef Michlb,a,*
a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v. v. i., Dolejškova 3, 182 23 Prague 8, Czech Republic
b Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215, U.S.A.
Individual author index pages
Other CCCC articles of these authors
- Matthew K. MacLeod and Josef Michl*
Why do disilanes fail to fluoresce?
2011, Vol. 76, Issue 12, pp. 2085–2116 [Abstract] - Douglas C. Caskey, Bing Wang, Xiaolai Zheng and Josef Michl*
Self-Assembled Trigonal Prismatic Altitudinal Rotors with Triptycene Paddle Wheels
2005, Vol. 70, Issue 11, pp. 1970–1985 [Abstract] - Zdeněk Havlas*, Mojmír Kývala and Josef Michl
Spin-Orbit Coupling in Biradicals. 4. Zero-Field Splitting in Triplet Nitrenes, Phosphinidenes, and Arsinidenes
2003, Vol. 68, Issue 12, pp. 2335–2343 [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] - Pawel Rempala and Josef Michl*
A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory
2003, Vol. 68, Issue 3, pp. 644–662 [Abstract] - Zbyněk Janoušek, Cameron L. Hilton, Peter J. Schreiber and Josef Michl*
C-Halogenation of the closo-[CB11H12]- Anion
2002, Vol. 67, Issue 7, pp. 1025–1034 [Abstract] - Andreas Franken, Benjamin T. King, Jens Rudolph, Photon Rao, Bruce C. Noll and Josef Michl*
Preparation of [closo-CB11H12]- by Dichlorocarbene Insertion Into [nido-B11H14]-
2001, Vol. 66, Issue 8, pp. 1238–1249 [Abstract] - Benjamin T. King, Bruce C. Noll and Josef Michl*
Cation-π Interactions in the Solid State: Crystal Structures of M+(benzene)2CB11Me12- (M = Tl, Cs, Rb, K, Na) and Li+(toluene)CB11Me12-
1999, Vol. 64, Issue 6, pp. 1001–1012 [Abstract] - Zdeněk Havlas and Josef Michl
Spin-Orbit Coupling in Biradicals. 3. Heavy Atom Effects in Carbenes
1998, Vol. 63, Issue 9, pp. 1485–1497 [Abstract] - Vlasta Bonačič-Koutecký, Detlef Reichardt, Jiří Pittner, Piercarlo Fantucci and Jaroslav Koutecký
Ab initio Molecular Dynamics for Determination of Structures of Alkali Metal Clusters and Their Temperatures Behavior; An Example of Li9+
1998, Vol. 63, Issue 9, pp. 1431–1446 [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] - Tomasz Janecki, Shu Shi, Piotr Kaszynski and Josef Michl
[n]Staffanes with Terminal Nitrile and Isonitrile Functionalities and Their Metal Complexes
1993, Vol. 58, Issue 1, pp. 89–104 [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] - Parvathi S. Murthy and Josef Michl
Conformational analysis by infrared linear dichroism of solutes in stretched polyethylene: The twist angle in biphenyl and 4,4'-dibromobiphenyl
1988, Vol. 53, Issue 10, pp. 2366–2376 [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]