Leonid Gorb - researchr alias

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Viewing Publication 1 - 12 from 12

2016

2015

Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational studyLiudmyla Sviatenko, Olexandr Isayev, Leonid Gorb, Frances C. Hill, Danuta Leszczynska, Jerzy Leszczynski. jcc, 36(14):1029-1035, 2015. [doi]

2013

N-heterocyclic compoundsLiudmyla Sviatenko, Leonid Gorb, Frances Hill, Jerzy Leszczynski. jcc, 34(13):1094-1100, 2013. [doi]

2011

Toward robust computational electrochemical predicting the environmental fate of organic pollutantsLiudmila Sviatenko, Olexandr Isayev, Leonid Gorb, Frances Hill, Jerzy Leszczynski. jcc, 32(10):2195-2203, 2011. [doi]

2010

Exploration of density functional methods for one-electron reduction potential of nitrobenzenesRoman I. Zubatyuk, Leonid Gorb, Oleg V. Shishkin, Mo Qasim, Jerzy Leszczynski. jcc, 31(1):144-150, 2010. [doi]

2008

The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR studyVictor Kuzmin, Eugene N. Muratov, Anatoly G. Artemenko, Leonid Gorb, Mo Qasim, Jerzy Leszczynski. jcamd, 22(10):747-759, 2008. [doi]

2007

Theoretical calculations: Can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?Olexandr Isayev, Leonid Gorb, Jerzy Leszczynski. jcc, 28(9):1598-1609, 2007. [doi]

2003

Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis setNikolay A. Anikin, Vladislav L. Bugaenko, M. V. Frash, Leonid Gorb, Jerzy Leszczynski. jcc, 24(9):1132-1141, 2003. [doi]

2000

High performance computing on the Cray T3E and IBM SP2 systems with the parallel version of GAUSSIAN 94Leonid Gorb, Ilya Yanov, Jerzy Leszczynski. pc, 26(7-8):1043-1060, 2000.

1999

Hydrogen Bomding and Tautomerism in Isolated and Hydrated DNA BasesLeonid Gorb, Jerzy Leszczynski. lssc 1999: 328-334

Explosive advances in computational chemistry - Applications of parallel computing in biomedical and material science researchLeonid Gorb, Ilya Yanov, Jerzy Leszczynski. parco 1999: 18-31

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