Jerzy Leszczynski

Liudmyla Sviatenko, Leonid Gorb, Frances Hill, Jerzy Leszczynski: Theoretical study of ionization and one-electron oxidation potentials of N-heterocyclic compounds. Journal of Computational Chemistry 34(13): 1094-1100 (2013)

Jiande Gu, Jing Wang, Yaoming Xie, Jerzy Leszczynski, Henry F. Schaefer III: Structural and electronic property responses to the arsenic/phosphorus exchange in GC-related DNA of the B-form. Journal of Computational Chemistry 33(8): 817-821 (2012)

Jing Wang, Jiande Gu, Jerzy Leszczynski: The electronic spectra and the H-bonding pattern of the sulfur and selenium substituted guanines. Journal of Computational Chemistry 33(19): 1587-1593 (2012)

Andrey A. Toropov, Alla P. Toropova, Bakhtiyor F. Rasulev, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski: Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical. Journal of Computational Chemistry 33(23): 1902-1906 (2012)

Liudmila Sviatenko, Olexandr Isayev, Leonid Gorb, Frances Hill, Jerzy Leszczynski: Toward robust computational electrochemical predicting the environmental fate of organic pollutants. Journal of Computational Chemistry 32(10): 2195-2203 (2011)

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski: CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. Journal of Computational Chemistry 32(12): 2727-2733 (2011)

Roman I. Zubatyuk, Leonid Gorb, Oleg V. Shishkin, Mo Qasim, Jerzy Leszczynski: Exploration of density functional methods for one-electron reduction potential of nitrobenzenes. Journal of Computational Chemistry 31(1): 144-150 (2010)

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski: SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. Journal of Computational Chemistry 31(2): 381-392 (2010)

Malakhat A. Turabekova, Bakhtiyor F. Rasulev, Mikhail G. Levkovich, Nasrulla D. Abdullaev, Jerzy Leszczynski: Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na⁺ channels: AM1/DFT electronic structure investigations and QSAR studies. Computational Biology and Chemistry 32(2): 88-101 (2008)

Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski: Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector. Computational Biology and Chemistry 31(2): 127-128 (2007)

Vladimir I. Bolshakov, Vladimir V. Rossikhin, Eugene O. Voronkov, Sergiy I. Okovytyy, Jerzy Leszczynski: The performance of the new 6-31G^## basis set: Molecular structures and vibrational frequencies of transition metal carbonyls. Journal of Computational Chemistry 28(4): 778-782 (2007)

Olexandr Isayev, Leonid Gorb, Jerzy Leszczynski: Theoretical calculations: Can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately? Journal of Computational Chemistry 28(9): 1598-1609 (2007)

Jiande Gu, Jing Wang, Jerzy Leszczynski: Iso-guanine quintet complexes coordinated by mono valent cations (Na⁺, K⁺, Rb⁺, and Cs⁺). Journal of Computational Chemistry 28(11): 1790-1795 (2007)

Josef Seda, Jaroslav V. Burda, Jerzy Leszczynski: Study of electronic spectra of free-base porphin and Mg-porphin: Comprehensive comparison of variety of ab initio, DFT, and semiempirical methods. Journal of Computational Chemistry 26(3): 294-303 (2005)

Jaroslav V. Burda, Michal Zeizinger, Jerzy Leszczynski: Hydration process as an activation of trans- and cisplatin complexes in anticancer treatment. DFT and ab initio computational study of thermodynamic and kinetic parameters. Journal of Computational Chemistry 26(9): 907-914 (2005)

M. K. Shukla, Jerzy Leszczynski: TDDFT investigation on nucleic acid bases: Comparison with experiments and standard approach. Journal of Computational Chemistry 25(5): 768-778 (2004)

Nikolay A. Anikin, Vladislav L. Bugaenko, M. V. Frash, Leonid Gorb, Jerzy Leszczynski: Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis set. Journal of Computational Chemistry 24(9): 1132-1141 (2003)

Mikhail Kozhin, Ilya Yanov, Jerzy Leszczynski: Network visualization system for computational chemistry. Journal of Computational Chemistry 24(13): 1678-1687 (2003)

Ming-Ju Huang, Jerzy Leszczynski: An ab initio theoretical study of the stereoisomers of tetrahydrocannabinols. Journal of Computer-Aided Molecular Design 15(4): 323-333 (2001)

Jerzy Leszczynski: Computational chemistry. Parallel Computing 26(7-8): 817-818 (2000)

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

Leonid Gorb, Jerzy Leszczynski: Hydrogen Bomding and Tautomerism in Isolated and Hydrated DNA Bases. LSSC 1999: 328-334

Divi Venkateswarlu, Jerzy Leszczynski: Tautomeric equilibria in 8-oxopurines: Implications for mutagenicity. Journal of Computer-Aided Molecular Design 12(4): 373-382 (1998)

Jirí Sponer, Jerzy Leszczynski, Pavel Hobza: Base stacking in cytosine dimer. A comparison of correlated ab initio calculations with three empirical potential models and density functional theory calculations. Journal of Computational Chemistry 17(7): 841-850 (1996)