Leonid Gorb
Orcid: 0000-0001-7932-9105
According to our database1,
Leonid Gorb
authored at least 12 papers
between 1999 and 2016.
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Bibliography
2016
Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions: A theoretical approach.
J. Comput. Chem., 2016
Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility.
J. Comput. Chem., 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 study.
J. Comput. Chem., 2015
2013
Theoretical study of ionization and one-electron oxidation potentials of <i>N</i>-heterocyclic compounds.
J. Comput. Chem., 2013
2011
Toward robust computational electrochemical predicting the environmental fate of organic pollutants.
J. Comput. Chem., 2011
2010
Exploration of density functional methods for one-electron reduction potential of nitrobenzenes.
J. Comput. Chem., 2010
2008
The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study.
J. Comput. Aided Mol. Des., 2008
2007
Theoretical calculations: Can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?
J. Comput. Chem., 2007
2003
Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis set.
J. Comput. Chem., 2003
2000
High performance computing on the Cray T3E and IBM SP2 systems with the parallel version of GAUSSIAN 94.
Parallel Comput., 2000
1999
Explosive advances in computational chemistry - Applications of parallel computing in biomedical and material science research.
Proceedings of the Parallel Computing: Fundamentals & Applications, 1999
Hydrogen Bomding and Tautomerism in Isolated and Hydrated DNA Bases.
Proceedings of the Large-Scale Scientific Computation for Engineering and Environmental Problems, 1999