2008 |
16 | EE | 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) |
2007 |
15 | EE | 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) |
14 | EE | 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) |
13 | EE | 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) |
12 | EE | 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) |
2005 |
11 | EE | 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) |
10 | EE | 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) |
2004 |
9 | EE | 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) |
2003 |
8 | EE | Mikhail Kozhin,
Ilya Yanov,
Jerzy Leszczynski:
Network visualization system for computational chemistry.
Journal of Computational Chemistry 24(13): 1678-1687 (2003) |
7 | EE | 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) |
2001 |
6 | EE | 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) |
2000 |
5 | | 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) |
4 | | Jerzy Leszczynski:
Computational chemistry.
Parallel Computing 26(7-8): 817-818 (2000) |
1999 |
3 | | Leonid Gorb,
Jerzy Leszczynski:
Hydrogen Bomding and Tautomerism in Isolated and Hydrated DNA Bases.
LSSC 1999: 328-334 |
1998 |
2 | EE | Divi Venkateswarlu,
Jerzy Leszczynski:
Tautomeric equilibria in 8-oxopurines: Implications for mutagenicity.
Journal of Computer-Aided Molecular Design 12(4): 373-382 (1998) |
1996 |
1 | EE | 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) |