Hydrogen Bomding and Tautomerism in Isolated and Hydrated DNA Bases. - Leonid Gorb; Jerzy Leszczynski (LSSC, 1999)

Explosive advances in computational chemistry - Applications of parallel computing in biomedical and material science research. - Leonid Gorb; Ilya Yanov; Jerzy Leszczynski (PARCO, 1999)

High performance computing on the Cray T3E and IBM SP2 systems with the parallel version of GAUSSIAN 94. - Leonid Gorb; Ilya Yanov; Jerzy Leszczynski (Parallel Comput., 2000)

Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis set. - Nikolay A. Anikin; Vladislav L. Bugaenko; M. V. Frash; Leonid Gorb; Jerzy Leszczynski (J. Comput. Chem., 2003)

Theoretical calculations: Can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately? - Olexandr Isayev; Leonid Gorb; Jerzy Leszczynski (J. Comput. Chem., 2007)

The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study. - Victor Kuzmin; Eugene N. Muratov; Anatoly G. Artemenko; Leonid Gorb; Mo Qasim; Jerzy Leszczynski (J. Comput. Aided Mol. Des., 2008)

Exploration of density functional methods for one-electron reduction potential of nitrobenzenes. - Roman I. Zubatyuk; Leonid Gorb; Oleg V. Shishkin; Mo Qasim; Jerzy Leszczynski (J. Comput. Chem., 2010)

Toward robust computational electrochemical predicting the environmental fate of organic pollutants. - Liudmyla K. Sviatenko; Olexandr Isayev; Leonid Gorb; Frances Hill; Jerzy Leszczynski (J. Comput. Chem., 2011)

Theoretical study of ionization and one-electron oxidation potentials of N-heterocyclic compounds. - Liudmyla K. Sviatenko; Leonid Gorb; Frances Hill; Jerzy Leszczynski (J. Comput. Chem., 2013)

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 study. - Liudmyla K. Sviatenko; Olexandr Isayev; Leonid Gorb; Frances C. Hill; Danuta Leszczynska; Jerzy Leszczynski (J. Comput. Chem., 2015)

Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility. - Kyrylo Klimenko; Victor Kuzmin; Liudmila Ognichenko; Leonid Gorb; Manoj Shukla; Natalia Vinas; Edward J. Perkins; Pavel G. Polishchuk; Anatoly G. Artemenko; Jerzy Leszczynski (J. Comput. Chem., 2016)

Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions: A theoretical approach. - Liudmyla K. Sviatenko; Leonid Gorb; Frances C. Hill; Danuta Leszczynska; Jerzy Leszczynski (J. Comput. Chem., 2016)