Publications

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Journal Articles

4.

Furmanchuk, Al'ona; Isayev, Olexandr; Gorb, Leonid; Shishkin, Oleg; Hovorun, Dmytro; Leszczynski, Jerzy

Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration. (Journal Article)

Physical chemistry chemical physics : PCCP, 13 (10), pp. 4311-7, 2011.

(Abstract | Links | BibTeX | Tags: DNA, Molecular Dynamics Simulation, Quantum Theory)

3.

V., Luzanov

Spectral and entropic characterizations of Wigner functions: applications to model vibrational systems. (Journal Article)

The Journal of chemical physics, 129 (9), pp. 094103, 2008.

(Abstract | Links | BibTeX | Tags: Entropy measures, Phase spaces, Quantum Theory, Risk assessment, Wigner functions)

2.

Zubatyuk, Roman; Volovenko, Yulian; Shishkin, Oleg; Gorb, Leonid; Leszczynski, Jerzy

Aromaticity-controlled tautomerism and resonance-assisted hydrogen bonding in heterocyclic enaminone-iminoenol systems. (Journal Article)

The Journal of organic chemistry, 72 (3), pp. 725-35, 2007.

(Abstract | Links | BibTeX | Tags: Heterocyclic Compounds: chemistry, Hydrogen Bonding, Molecular Structure, Quantum Theory, Stereoisomerism)

1.

Shishkin, Oleg; Palamarchuk, Gennady; Gorb, Leonid; Leszczynski, Jerzy

Intramolecular hydrogen bonds in canonical 2'-deoxyribonucleotides: an atoms in molecules study. (Journal Article)

The journal of physical chemistry. B, 110 (9), pp. 4413-22, 2006.

(Abstract | Links | BibTeX | Tags: Computer Simulation, Deoxyribonucleotides: chemistry, Hydrogen Bonding, Molecular Structure, Nucleic Acid Conformation, Quantum Theory)