Leonid Gorb
TitleCited byYear
Intramolecular proton transfer in mono-and dihydrated tautomers of guanine: an ab initio post Hartree− Fock study
L Gorb, J Leszczynski
Journal of the American Chemical Society 120 (20), 5024-5032, 1998
2741998
Double-proton transfer in adenine− thymine and guanine− cytosine base pairs. A post-hartree− fock ab initio study
L Gorb, Y Podolyan, P Dziekonski, WA Sokalski, J Leszczynski
Journal of the American Chemical Society 126 (32), 10119-10129, 2004
2012004
Metal-stabilized rare tautomers and mispairs of DNA bases: N6-metalated adenine and N4-metalated cytosine, theoretical and experimental views
J Šponer, JE Šponer, L Gorb, J Leszczynski, B Lippert
The Journal of Physical Chemistry A 103 (51), 11406-11413, 1999
1381999
Protonation of nucleic acid bases. A comprehensive post-Hartree− Fock study of the energetics and proton affinities
Y Podolyan, L Gorb, J Leszczynski
The Journal of Physical Chemistry A 104 (31), 7346-7352, 2000
1242000
Ab initio ionization energy thresholds of DNA and RNA bases in gas phase and in aqueous solution
CE Crespo-Hernández, R Arce, Y Ishikawa, L Gorb, J Leszczynski, ...
The Journal of Physical Chemistry A 108 (30), 6373-6377, 2004
1152004
Determination of redox potentials for the Watson− Crick base pairs, DNA nucleosides, and relevant nucleoside analogues
CE Crespo-Hernández, DM Close, L Gorb, J Leszczynski
The Journal of Physical Chemistry B 111 (19), 5386-5395, 2007
1112007
The effect of metal binding to the N7 site of purine nucleotides on their structure, energy, and involvement in base pairing
J Sponer, M Sabat, L Gorb, J Leszczynski, B Lippert, P Hobza
Journal of Physical Chemistry B 104 (31), 7535-7544, 2000
1052000
Near-UV resonant two-photon ionization spectroscopy of gas phase guanine: evidence for the observation of three rare tautomers
M Mons, F Piuzzi, I Dimicoli, L Gorb, J Leszczynski
The Journal of Physical Chemistry A 110 (38), 10921-10924, 2006
1042006
A direct-dynamics study of proton transfer through water bridges in guanine and 7-azaindole
Z Smedarchina, W Siebrand, A Fernández-Ramos, L Gorb, J Leszczynski
The Journal of Chemical Physics 112 (2), 566-573, 2000
982000
Intramolecular proton transfer in monohydrated tautomers of cytosine: An ab initio post‐Hartree–Fock study
L Gorb, J Leszczynski
International journal of quantum chemistry 70 (4‐5), 855-862, 1998
971998
Structure-toxicity relationships of nitroaromatic compounds
O Isayev, B Rasulev, L Gorb, J Leszczynski
Molecular diversity 10 (2), 233-245, 2006
932006
Does the hydrated cytosine molecule retain the canonical structure? A DFT study
OV Shishkin, L Gorb, J Leszczynski
The Journal of Physical Chemistry B 104 (22), 5357-5361, 2000
912000
Ab initio study of the prototropic tautomerism of cytosine and guanine and their contribution to spontaneous point mutations
Y Podolyan, L Gorb, J Leszczynski
International Journal of Molecular Sciences 4 (7), 410-421, 2003
892003
A theoretical investigation of tautomeric equilibria and proton transfer in isolated and monohydrated cytosine and isocytosine molecules
L Gorb, Y Podolyan, J Leszczynski
Journal of Molecular Structure: THEOCHEM 487 (1-2), 47-55, 1999
881999
The mechanism of formamide hydrolysis in water from ab initio calculations and simulations
L Gorb, A Asensio, I Tuñón, MF Ruiz‐López
Chemistry–A European Journal 11 (22), 6743-6753, 2005
792005
Ab initio molecular dynamics study on the initial chemical events in nitramines: thermal decomposition of CL-20
O Isayev, L Gorb, M Qasim, J Leszczynski
The Journal of Physical Chemistry B 112 (35), 11005-11013, 2008
762008
Molecular structure and hydrogen bonding in polyhydrated complexes of adenine: a DFT study
OS Sukhanov, OV Shishkin, L Gorb, Y Podolyan, J Leszczynski
The Journal of Physical Chemistry B 107 (12), 2846-2852, 2003
752003
Proton Transfer in the Mono-and the Dihydrated Complexes of HF and HCl: An MP2/6-31+ G ab Initio Study in the Self-Consistent Reaction Field Model of Solvation
C Chipot, LG Gorb, JL Rivail
The Journal of Physical Chemistry 98 (6), 1601-1607, 1994
741994
Intramolecular Hydrogen Bonds in Canonical 2 ‘-Deoxyribonucleotides: An Atoms in Molecules Study
OV Shishkin, GV Palamarchuk, L Gorb, J Leszczynski
The Journal of Physical Chemistry B 110 (9), 4413-4422, 2006
722006
Gas phase rotamers of the nucleobase 9-methylguanine enol and its monohydrate: optical spectroscopy and quantum mechanical calculations
W Chin, M Mons, F Piuzzi, B Tardivel, I Dimicoli, L Gorb, J Leszczynski
The Journal of Physical Chemistry A 108 (40), 8237-8243, 2004
722004
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Articles 1–20