Eugene Kryachko
Eugene Kryachko
Bogolyubov Institute for Theoretical Physics
Підтверджена електронна адреса в ulg.ac.be
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Energy density functional theory of many-electron systems
ES Kryachko, EV Ludeña
Springer Science & Business Media, 2012
5832012
Theory of molecular interactions
IG Kaplan, S Fraga, M Klobukowski, ES Kryachko
Studies in Physical and Theoretical Chemistry 42, 1986
4751986
Theoretical study of tautomeric forms of uracil. 1. Relative order of stabilities and their relation to proton affinities and deprotonation enthalpies
ES Kryachko, MT Nguyen, T Zeegers-Huyskens
The Journal of Physical Chemistry A 105 (8), 1288-1295, 2001
1452001
Theoretical Study of the CH⊙⊙⊙ O Interaction in Fluoromethanes⊙ H2O and Chloromethanes⊙ H2O Complexes
ES Kryachko, T Zeegers-Huyskens
The Journal of Physical Chemistry A 105 (29), 7118-7125, 2001
1292001
Complexes of DNA Bases and Gold Clusters Au3 and Au4 Involving Nonconventional N−H···Au Hydrogen Bonding
ES Kryachko, F Remacle
Nano letters 5 (4), 735-739, 2005
1192005
Theoretical study of uracil tautomers. 2. interaction with Water
ES Kryachko, MT Nguyen, T Zeegers-Huyskens
The Journal of Physical Chemistry A 105 (10), 1934-1943, 2001
1182001
Structure and energetics of two- and three-dimensional neutral, cationic, and anionic gold clusters
F Remacle, ES Kryachko
The Journal of chemical physics 122 (4), 044304, 2005
1152005
Benchmark theoretical study of the ionization threshold of benzene and oligoacenes
MS Deleuze, L Claes, ES Kryachko, JP François
The Journal of chemical physics 119 (6), 3106-3119, 2003
1132003
CH⊙⊙⊙ F Hydrogen Bonds. Dimers of Fluoromethanes
E Kryachko, S Scheiner
The Journal of Physical Chemistry A 108 (13), 2527-2535, 2004
1122004
Density functional theory: Foundations reviewed
ES Kryachko, EV Ludena
Physics Reports 544 (2), 123-239, 2014
1002014
Complexes of DNA bases and Watson− Crick base pairs with small neutral gold clusters
ES Kryachko, F Remacle
The Journal of Physical Chemistry B 109 (48), 22746-22757, 2005
1002005
The magic gold cluster Au20
ES Kryachko, F Remacle
International Journal of Quantum Chemistry 107 (14), 2922-2934, 2007
932007
Formulation of N-and v-representable density-functional theory. I. Ground states
ES Kryachko, EV Ludea
Physical Review A 43 (5), 2179, 1991
901991
Ab initio studies of the conformations of water hexamer: modelling the penta-coordinated hydrogen-bonded pattern in liquid water
ES Kryachko
Chemical physics letters 314 (3-4), 353-363, 1999
821999
Blue-Shifted Hydrogen-Bonded Complexes CF3H−(HF)1n3
A Karpfen, ES Kryachko
The Journal of Physical Chemistry A 107 (45), 9724-9729, 2003
752003
Method of local‐scaling transformations and density‐functional theory in quantum chemistry
IZ Petkov, MV Stoitsov, ES Kryachko
International Journal of Quantum Chemistry 29 (1), 149-161, 1986
701986
Three-gold clusters form nonconventional hydrogen bonds O–H⋯ Au and N–H⋯ Au with formamide and formic acid
ES Kryachko, F Remacle
Chemical physics letters 404 (1-3), 142-149, 2005
692005
On blue shifts of C–H stretching modes of dimethyl ether in hydrogen-and halogen-bonded complexes
A Karpfen, ES Kryachko
Chemical physics letters 431 (4-6), 428-433, 2006
652006
Theoretical Study of the CH⊙⊙⊙ X-Interaction of Fluoromethanes and Chloromethanes with Fluoride, Chloride, and Hydroxide Anions
ES Kryachko, T Zeegers-Huyskens
The Journal of Physical Chemistry A 106 (29), 6832-6838, 2002
632002
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
ES Kryachko, JR Sabin
International journal of quantum chemistry 91 (6), 695-710, 2003
622003
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