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Results:
1-16
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Results: 16
Authors:
Podolyan, Y
Gorb, L
Blue, A
Leszczynski, J
Citation: Y. Podolyan et al., A theoretical investigation of tautomeric equilibria and proton transfer in isolated and hydrated thiocytosine, J MOL ST-TH, 549, 2001, pp. 101-109
Authors:
Okovytyy, S
Gorb, L
Leszczynski, J
Citation: S. Okovytyy et al., New insight on the mechanism of 2-oxabicyclobutane fragmentation. A high-level ab initio study, TETRAHEDRON, 57(8), 2001, pp. 1509-1513
Authors:
Sponer, J
Sabat, M
Gorb, L
Leszczynski, J
Lippert, B
Hobza, P
Citation: J. Sponer et al., The effect of metal binding to the N7 site of purine nucleotides on their structure, energy, and involvement in base pairing, J PHYS CH B, 104(31), 2000, pp. 7535-7544
Authors:
Shishkin, OV
Gorb, L
Leszczynski, J
Citation: Ov. Shishkin et al., Does the hydrated cytosine molecule retain the canonical structure? A DFT study, J PHYS CH B, 104(22), 2000, pp. 5357-5361
Authors:
Gorb, L
Gu, JD
Leszczynska, D
Leszczynski, J
Citation: L. Gorb et al., The interaction of nitrobenzene with the hydrate basal surface of montmorillonite: an ab initio study, PHYS CHEM P, 2(21), 2000, pp. 5007-5012
Authors:
Podolyan, Y
Gorb, L
Leszczynski, J
Citation: Y. Podolyan et al., Protonation of nucleic acid bases. A comprehensive post-Hartree-Fock studyof the energetics and proton affinities, J PHYS CH A, 104(31), 2000, pp. 7346-7352
Authors:
Gorb, L
Yanov, I
Leszczynski, J
Citation: L. Gorb et al., High performance computing on the Cray T3E and IBM SP2 systems with the parallel version of GAUSSIAN 94, PARALLEL C, 26(7-8), 2000, pp. 1043-1060
Authors:
Smedarchina, Z
Siebrand, W
Fernandez-Ramos, A
Gorb, L
Leszczynski, J
Citation: Z. Smedarchina et al., A direct-dynamics study of proton transfer through water bridges in guanine and 7-azaindole, J CHEM PHYS, 112(2), 2000, pp. 566-573
Authors:
Shishkin, OV
Gorb, L
Hobza, P
Leszczynski, J
Citation: Ov. Shishkin et al., Structural nonrigidity of nucleic acid bases. Post-Hartree-Fock ab initio study, INT J QUANT, 80(4-5), 2000, pp. 1116-1124
Authors:
Shishkin, OV
Gorb, L
Leszczynski, J
Citation: Ov. Shishkin et al., Conformational flexibility of pyrimidine ring in adenine and related compounds, CHEM P LETT, 330(5-6), 2000, pp. 603-611
Authors:
Sponer, J
Sponer, JE
Gorb, L
Leszczynski, J
Lippert, B
Citation: J. Sponer et al., Metal-stabilized rare tautomers and mispairs of DNA bases: N6-metalated adenine and N4-metalated cytosine, theoretical and experimental views, J PHYS CH A, 103(51), 1999, pp. 11406-11413
Authors:
Gorb, L
Podolyan, Y
Leszczynski, J
Citation: L. Gorb et al., A theoretical investigation of tautomeric equilibria and proton transfer in isolated and monohydrated cytosine and isocytosine molecules, THEOCHEM, 487(1-2), 1999, pp. 47-55
Authors:
Gorb, L
Jadzyn, J
Wojciechowski, KW
Citation: L. Gorb et al., A post Hartree-Fock quantum-chemical study of the dimerization of 2-pyrrolidinone, POL J CHEM, 73(9), 1999, pp. 1549-1554
Authors:
Hovorun, DM
Gorb, L
Leszczynski, J
Citation: Dm. Hovorun et al., From the nonplanarity of the amino group to the structural nonrigidity of the molecule: A Post-Hartree-Fock ab initio study of 2-aminoimidazole, INT J QUANT, 75(3), 1999, pp. 245-253
Authors:
Gu, JD
Gorb, L
Leszczynski, J
Citation: Jd. Gu et al., A DFT study of the models of the bronsted acid sites of zeolite catalysts, STRUCT CHEM, 9(5), 1998, pp. 319-326
Authors:
Gorb, L
Korkin, A
Leszczynski, J
Citation: L. Gorb et al., Post-Hartree-Fock study on biologically important di- and tripyrrolic compounds - precursors to the active site of phytochrome, THEOCHEM, 454(2-3), 1998, pp. 217-227
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