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51

Theoretical study of the molecular mechanism of the Li(2S1/2)+N2O(X1Σ+) reaction

Oksana Tishchenko, Eugene S Kryachko, Christian Vinckier, Minh Tho Nguyen

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 532 KB

english, 2002

52

Norbornane-type water heptamer

Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 426 KB

english, 1997

53

Ab initio studies of the conformations of water hexamer: modelling the penta-coordinated hydrogen-bonded pattern in liquid water

Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 553 KB

english, 1999

54

Low energy barriers of H-atom abstraction from phenols

Oksana Tishchenko, Eugene S Kryachko, Minh Tho Nguyen

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 318 KB

english, 2002

55

Theoretical study of the interaction of fluoroform and chloroform with the hydroxide ion

Eugene S Kryachko, Thérèse Zeegers-Huyskens

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 221 KB

english, 2002

56

Ab initio study of L-orientational defect in the hydrogen-bonded pattern of liquid water

Eugene S. Kryachko

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 914 KB

english, 1997

57

Quantum chemical study of 1-methyladenine and its spectra in gas phase and in solvent. I.

Eugene S. Kryachko, Georg Zundel

Journal:

Journal of Molecular Structure

Year:

1998

Language:

english

File:

PDF, 871 KB

english, 1998

58

Density functional calculations on protonated and deprotonated thiouracils and their complexes with water

Eugene S. Kryachko, Minh Tho Nguyen, Thérèse Zeegers-Huyskens

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 604 KB

english, 2001

59

Theoretical and experimental study of the conformational and vibrational properties of benzoin

Zbignew Pawelka, Eugene S. Kryachko, Thérèse Zeegers-Huyskens

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 269 KB

english, 2003

60

Theoretical vibrational analysis of monohalogenated phenols

Oksana Tishchenko, Eugene S. Kryachko, Minh Tho Nguyen

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 180 KB

english, 2002

61

Model for Orientational Defects in Quasi-One-Dimensional Ice Crystals

O. E. Yanovitskii, E. S. Kryachko

Journal:

physica status solidi (b)

Year:

1988

Language:

english

File:

PDF, 655 KB

english, 1988

62

Mechanism of the oxidation reaction of Cu with N2O via nonadiabatic electron transfer

Eugene S. Kryachko, Oksana Tishchenko, Minh Tho Nguyen

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 203 KB

english, 2002

63

Existence of strictly diabatic basis sets for the two-state problem

Eugene S. Kryachko, António J. C. Varandas

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

64

Preopening of the DNA base pairs

Eugene S. Kryachko, Sergey N. Volkov

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 462 KB

english, 2001

65

Quantum chemical study of the hydrogen-bonded patterns in A · T base pair of DNA: Origins of tautomeric mispairs, base flipping, and Watson–Crick ⇒ Hoogsteen conversion

Eugene S. Kryachko, John R. Sabin

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 573 KB

english, 2003

66

Generation of systematic sequences of even-tempered basis sets: Empirical generating formulae

Eugene S. Kryachko, Stephen Wilson

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 118 KB

english, 2003

67

Theoretical study of hydrogenation of thiouracils and their base pairs with adenine

Leif A. Eriksson, Eugene S. Kryachko, Minh T. Nguyen

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 897 KB

english, 2004

68

On the proof by reductio ad absurdum of the Hohenberg–Kohn theorem for ensembles of fractionally occupied states of Coulomb systems

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 97 KB

english, 2006

69

Formula that accounts a number of atoms within a period of the periodic table

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 78 KB

english, 2007

70

Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials. By Ilya G. Kaplan, John Wiley & Sons, Ltd, Chichester, England, 2006. ISBN-13: 978–0-470–86332–9

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 70 KB

english, 2008

71

Dicationic states of benzene dimer: Benzene dimer cation and benzene dication parenthood patterns

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 455 KB

english, 2007

72

The magic gold cluster Au20

E. S. Kryachko, F. Remacle

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 591 KB

english, 2007

73

Three computational mise-en-scènes of red- and blue-shifted hydrogen bonding motifs: Concept of negative intramolecular coupling—What else?

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 694 KB

english, 2010

74

Molecular self-organization in micro-, nano-, and macro-dimensions: From molecules to water, nanoparticles, DNA and proteins

Nino Russo, Victor Ya. Antonchenko, Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 142 KB

english, 2010

75

Stability and protonation of multielectron systems: The concept of proton affinity. I. Vague limits

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 394 KB

english, 2011

76

On stability and protonation of multielectron systems: The concept of proton affinity. II. Dissociative proton attachment and protonation—Deprotonation mapping

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 635 KB

english, 2012

77

Book Review

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 55 KB

english, 2011

78

On the solution of the N-completeness problem

E. S. Kryachko, Yu. A. Kruglyak

Journal:

International Journal of Quantum Chemistry

Year:

1976

Language:

english

File:

PDF, 186 KB

english, 1976

79

Permutational symmetry of reduced density matrices

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 450 KB

english, 1977

80

Reduced-density-matrix theory and algebraic structures

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 324 KB

english, 1978

81

Nonrigidity effects of fragments of membrane-active complexons

Eugene S. Kryachko, Yuri A. Kruglyak, Bryan J. Dalton

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 318 KB

english, 1980

82

Hohenberg-Kohn theorem

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 325 KB

english, 1980

83

Matrix analysis of N-representability necessary conditions

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 117 KB

english, 1982

84

Classification of molecular symmetry by framework groups

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 135 KB

english, 1982

85

Homogeneity characteristic of molecular electronic energies

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 87 KB

english, 1982

86

Four-dimensional density and energy density functional

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 295 KB

english, 1984

87

On construction of diatomic potential energy functions

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 421 KB

english, 1984

88

Density functional theory: Approximating quasiparticle density functional

Serge A. Beznosjuk, Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 339 KB

english, 1984

89

On the red shift of OH stretching region vibrations in ice and water

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 660 KB

english, 1986

90

Method of local-scaling transformations and density functional theory in quantum chemistry. III. The energy density functional: Spin-restricted approach

Eugene S. Kryachko, Ivan Zh. Petkov, Mario V. Stoitsov

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 774 KB

english, 1987

91

Method of local-scaling transformations and density functional theory in quantum chemistry. III. The energy density functional: Spin-restricted approach

Eugene S. Kryachko, Ivan Zh. Petkov, Mario V. Stoitsov

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 55 KB

english, 1988

92

Generalized statistical approach to the study of interatomic interactions

R. Santamaría, M. Berrondo, O. Novaro, E. S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 421 KB

english, 1989

93

Quantum rigid dipole in a permanent electric field. I. Rigorous treatment

Eugene S. Kryachko, Oleg E. Yanovitskii

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 831 KB

english, 1991

94

Quantum rigid dipole in a permanent electric field. II. Model of librational motion in liquid water and ice Ih: Preliminary results

Eugene S. Kryachko, Oleg E. Yanovitskii

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 547 KB

english, 1991

95

Formulation of N- and v-representable density functional theory. IV. Non-Born–Oppenheimer approach

Eugene S. Kryachko, Eduardo V. Ludeña, Vladimiro Mujica

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 772 KB

english, 1991

96

Formulation of N- and ν-representable density functional theory. V. Exchange-only self-consistent field

Eugene S. Kryachko, Eduardo V. Ludeña

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 743 KB

english, 1992

97

On the Car–Parrinello computational scheme: Rigorous treatment

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 680 KB

english, 1993

98

On wave-function correction to Hellmann–Feynman force: Hartree–fock method

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 423 KB

english, 1995

99

Local-scaling transformation version of density functional theory

Eduardo V. Ludeña, Roberto López-boada, Jorge E. Maldonado, Elmer Valderrama, Eugene S. Kryachko, Toshikatsu Koga, Juergen Hinze

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.39 MB

english, 1995

100

The origin of spontaneous point mutations in DNA via Löwdin mechanism of proton tunneling in DNA base pairs: Cure with covalent base pairing

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 1.17 MB

english, 2002