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Journal Articles


Furmanchuk, Al’ona; Isayev, Olexandr; Shishkin, Oleg; Gorb, Leonid; Leszczynski, Jerzy

Hydration of nucleic acid bases: a Car–Parrinello molecular dynamics approach (Journal Article)

Physical Chemistry Chemical Physics, 12 (14), pp. 3363, 2010.

(Abstract | Links | BibTeX | Tags: Hydrogen Bonding, Molecular dynamics, Nucleic Acids)


Abakumov,; Shishkina,; Zubatyuk,; Gella,; Pivnenko,; Kutulya,; Shishkin,

Molecular and crystal structures of some novel derivatives of 3-aryl-7-arylidene-3,3a,4,5,6,7-hexahydroindazoles (Journal Article)

Crystallography Reports, 52 (2), pp. 243-252, 2007.

(Abstract | Links | BibTeX | Tags: Aromatic compounds, Arylhydrazine, Crystal structure, Cyclohexanone derivatives, Derivatives, Hexahyd, Molecular dynamics)


Luzanov,; Prezhdo,

Analysis of multiconfigurational wave functions in terms of hole-particle distributions. (Journal Article)

The Journal of chemical physics, 124 (22), pp. 224109, 2006.

(Abstract | Links | BibTeX | Tags: Computational methods, Density matrices, Electric excitation, Molecular dissociation, Molecular dynamics, Quantum electronics)