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51

MP4 Interaction energies and basis set superposition errors for the (H2)2dimer

P. Hobza, B. Schneider, J. Sauer, P. Čársky, R. Zahradník

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 475 KB

english, 1987

52

Applicability of the supermolecule MP2 approach to intermolecular interactions: He2 and Ne2

J. Sauer, P. Hobza, P. Čärsky, R. Zahradni'k

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 593 KB

english, 1987

53

The Jahn—Teller potential energy surface of H+4

Pavel Jungwirth, Petr Čársky, Thomas Bally

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 545 KB

english, 1992

54

Cyclobutadiene radical cation. An ab initio study of the Jahn-Teller surface

Martina Roeselová, Thomas Bally, Pavel Jungwirth, Petr Čársky

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 706 KB

english, 1995

55

Semiempirical all-valence-electron MO calculations on the electronic spectra of linear radicals with degenerate ground states

P. Čársky, J. Kuhn, R. Zahradník

Journal:

Journal of Molecular Spectroscopy

Year:

1975

Language:

english

File:

PDF, 803 KB

english, 1975

56

Activated complexes XHH, HXH, HXX, XHX (X  F, Cl), twisted C2H4 and CH5. Ab initio SCF 4-31G calculations of force constants of C2H4 and CH5, and CNDO/S calculations of electronic transition energies

Petr Čársky, Rudolf Zahradník

Journal:

Journal of Molecular Structure

Year:

1979

Language:

english

File:

PDF, 570 KB

english, 1979

57

Electronic structure and spectra of tetrathiotetracene and related molecules

Á.I. Kiss, M. Kertész, P. Čársky, H. Wedel

Journal:

Year:

1979

Language:

english

File:

PDF, 260 KB

english, 1979

58

AB initio studies of chemical equilibria. III. SCF and CEPA calculations of the equilibrium constants of the reactions C2H2 + OH− ⇌C2H− + H2O and Li + H2O⇌LiOH + H

Lischka Hans, Čarsky Petr, Zahradník Rudolf

Journal:

Chemical Physics

Year:

1977

Language:

english

File:

PDF, 662 KB

english, 1977

59

Ab initio SCF study of the vibrational spectra of nickel carbonyls Ni(CO)n, n = 1–4

Petr Čársky, Alain Dedieu

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 823 KB

english, 1986

60

Ab initio calculations on the structure of the benzene dimer

P. Čársky, H.L. Selzle, E.W. Schlag

Journal:

Chemical Physics

Year:

1988

Language:

english

File:

PDF, 490 KB

english, 1988

61

The performance of the multireference Brillouin–Wigner coupled cluster singles and doubles method on the insertion of Be into H2

Jiřı́ Pittner, Haydee Valdés Gonzalez, Robert J Gdanitz, Petr Čársky

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 166 KB

english, 2004

62

Optimization of chromium(VI) sorption potential using developed activated carbon from sugarcane bagasse with chemical activation by zinc chloride

K.J. Cronje, K. Chetty, M. Carsky, J.N. Sahu, B.C. Meikap

Journal:

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

63

Design of a dryer for citrus peels

Journal:

Journal of Food Engineering

Year:

2008

Language:

english

File:

PDF, 215 KB

english, 2008

64

Rheological characteristics of coal–water slurry using microwave pretreatment – A statistical approach

B.K. Sahoo, S. De, M. Carsky, B.C. Meikap

Journal:

Journal of Industrial & Engineering Chemistry

Year:

2011

Language:

english

File:

PDF, 936 KB

english, 2011

65

Neural network modelling of coal pyrolysis

M Carsky, D.K Kuwornoo

Journal:

Year:

2001

Language:

english

File:

PDF, 223 KB

english, 2001

66

Physical properties of bagasse

M.G. Rasul, V. Rudolph, M. Carsky

Journal:

Year:

1999

Language:

english

File:

PDF, 158 KB

english, 1999

67

Conjugated radicals : Theoretical study of redox equilibria

P. Čársky, S. Hünig, D. Scheutzow, R. Zahradník

Journal:

Year:

1969

Language:

english

File:

PDF, 875 KB

english, 1969

68

Ab initio calculations on the structure of the cyclopropenyl anion

B.Andes Hess Jr., L.J. Schaad, P. Čársky

Journal:

Tetrahedron Letters

Year:

1984

Language:

english

File:

PDF, 218 KB

english, 1984

69

Transformation of the teaching of medical chemistry and medical biochemistry, in relation to other medical disciplines at the faculty of medicine, Comenius University, Bratislava

L. Bergendi, J. Carsky, L. Halcak

Journal:

Biochemical Education

Year:

1997

Language:

english

File:

PDF, 500 KB

english, 1997

70

Fluidity gradient of erythrocyte membranes in diabetics: the effect of resorcylidene aminoguanidine

Iveta Waczulı́ková, Libuša Šikurová, Jozef Čársky

Journal:

Bioelectrochemistry

Year:

2002

Language:

english

File:

PDF, 91 KB

english, 2002

71

Antioxidant systems in polymorphonuclear leucocytes of Type 2 diabetes mellitus

J. Muchová, A. Liptáková, Z. Országhová, I. Garaiová, P. Tisoň, J. Čársky, Z. ?uračková

Journal:

Diabetic Medicine

Year:

1999

Language:

english

File:

PDF, 250 KB

english, 1999

72

Four- and 8-reference state-specific Brillouin–Wigner coupled-cluster method: Study of the singlet oxygen

Jiří Pittner, Petr Čársky, Ivan Hubač

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 99 KB

english, 2002

73

Ground states of BeC and MgC: A comparative multireference Brillouin–Wigner coupled cluster and configuration interaction study

Vasilios I. Teberekidis, Ioannis S. K. Kerkines, Constantinos A. Tsipis, Petr Čársky, Aristides Mavridis

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 181 KB

english, 2005

74

Multireference configuration interaction and coupled-cluster calculations on the X3Σ−, a1Δ, and b1Σ+ states of the NF molecule

Stavros Kardahakis, Jiří Pittner, Petr Čársky, Aristides Mavridis

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 146 KB

english, 2005

75

Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 106 KB

english, 2007

76

Density fitting for derivatives of Coulomb integrals in ab initio calculations using mixed Gaussian and plane-wave basis

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 114 KB

english, 2009

77

Ab initio calculations and absolute rate theory. Critical test for a series of elementary gas-phase reactions

P. Čársky, R. Zahradník

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 641 KB

english, 1979

78

Role of entropy in formation of van der Waals complexes

P. Hobza, P. Čársky, R. Zahradník

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 198 KB

english, 1979

79

Perturbation theory for open-shell systems: Simulation of the UHF states by means of the perturbed RHF wave functions

Ivan Hubač, Petr Čársky

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 355 KB

english, 1983

80

Ag vibrational levels of cyclobutadiene on a new potential energy surface

Petr Čársky, John W. Downing, Josef Michl

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 275 KB

english, 1991

81

Cubic-grid Gaussian basis sets for electron scattering calculations. I. Definition and construction

Petr Čársky, Vojtéch Hrouda, Josef Michl

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.53 MB

english, 1995

82

Cubic-grid Gaussian basis sets for electron scattering calculations. II. Matrix elements

Petr Čársky, Vojtěch Hrouda, Josef Michl

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 447 KB

english, 1995

83

Cubic-grid Gaussian basis sets for electron scattering calculations. III. Effect of basis-set translation and size on the calculated cross section

Petr Čársky, Vojtěch Hrouda, Josef Michl, Dean Antic

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.06 MB

english, 1995

84

Phosphorus recovery from triple superphosphate by soyabean in the Guinea savanna of Nigeria

IJ Ogoke, AO Togun, RJ Carsky, KE Dashiell

Journal:

Tropical Science

Year:

2006

Language:

english

File:

PDF, 86 KB

english, 2006

85

Quantenchemische Ab-initio-Berechnungen an schwefelorganischen Verbindungen: Experimentelle und theoretische Untersuchungen an Thioformaldehyd und Dithioglyoxal

Jürgen Fabian, Roland Mayer, Petr Čársky, Rudolf Zahradnik

Journal:

Zeitschrift für Chemie

Year:

1985

Language:

german

File:

PDF, 479 KB

german, 1985

86

Screening legume green manures as nitrogen sources to succeeding non-legume crops

R. J. Carsky, W. S. Reid, A. R. Suhet, D. J. Lathwell

Journal:

Year:

1990

Language:

english

File:

PDF, 617 KB

english, 1990

87

A remark on the comparison between the roothaan open shell and half-electron method

P. Čársky, R. Zahradník

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1972

Language:

english

File:

PDF, 349 KB

english, 1972

88

Conjugated radicals

P. Čársky, R. Zahradník

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1971

Language:

english

File:

PDF, 461 KB

english, 1971

89

Conjugated radicals

P. Čársky, R. Zahradník

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1970

Language:

english

File:

PDF, 186 KB

english, 1970

90

Open shell cndo treatments on small and aliphatic radicals. Electronic spectra and some ground state properties

R. Zahradník, P. Čársky

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1972

Language:

english

File:

PDF, 746 KB

english, 1972

91

Clusters of hydrogen molecules:Ab initioSCF calculations corrected semiempirically for correlation energies

Pavel Hobza, Rudolf Zahradník, Petr Čársky

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1979

Language:

english

File:

PDF, 339 KB

english, 1979

92

Correlation energies in open shell systems. Comparison of CEPA, PNO-CI and perturbation treatments based on the restricted Roothaan-Hartree-Fock formalism

Petr Čársky, Ivan Hubač, Volker Staemmler

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1982

Language:

english

File:

PDF, 319 KB

english, 1982

93

A Remark on the Comparison between the Roothaan Open Shell and Half-Electron Method

P. Čársky, R. Zahradnik

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1974

File:

PDF, 25 KB

1974

94

Open Shell CNDO Treatments on Small and Aliphatic Radicals

P. Čársky, R. Zahradnik

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1974

File:

PDF, 18 KB

1974

95

SCF-CI MO treatment of radicals having degenerate ground states

Jakob Kuhn, Petr Čársky, Rudolf Zahradnik

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1974

Language:

english

File:

PDF, 249 KB

english, 1974

96

Many-Body Rayleigh-Schrödinger Perturbation calculations of the correlation energy of open shell molecules in the restricted Roothaan-Hartree-Fock formalism. Application to heats of reaction and energies of activation

Petr Čársky, Rudolf Zahradník, Ivan Hubač, Miroslav Urban, Vladimír

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1980

Language:

english

File:

PDF, 502 KB

english, 1980

97

Polarization functions for gaussian basis sets for the first row atoms

Miroslav Urban, Vladimir Kellö, Petr Čársky

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 450 KB

english, 1977

98

Home-based employment: Historical and current considerations

Alma J. Owen, Mary L. Carsky, Elizabeth M. Dolan

Journal:

Journal of Family and Economic Issues

Year:

1992

Language:

english

File:

PDF, 1014 KB

english, 1992

99

Cubic-grid Gaussian basis sets for electron scattering calculations IV

Vojtěch Hrouda, Martin Polášek, Petr Čársky, Josef Michl

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1994

Language:

english

File:

PDF, 591 KB

english, 1994

100

Heavy-atom tunneling in cyclobutadiene:Ab initiocalculation of the intensities ofagRaman lines

P. Čársky, J. Michl

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1992

Language:

english

File:

PDF, 420 KB

english, 1992