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Leonid Gorb
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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
2961998
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
2322004
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
1552007
The effect of metal binding to the N7 site of purine nucleotides on their structure, energy, and involvement in base pairing
J Šponer, M Sabat, L Gorb, J Leszczynski, B Lippert, P Hobza
The Journal of Physical Chemistry B 104 (31), 7535-7544, 2000
1552000
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
1461999
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
1382000
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
1312004
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
1142006
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
1122008
Structure-toxicity relationships of nitroaromatic compounds
O Isayev, B Rasulev, L Gorb, J Leszczynski
Molecular diversity 10 (2), 233-245, 2006
1042006
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
1011998
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
1002003
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
992000
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
971999
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
952005
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
952000
Theoretical study of the adsorption and decomposition of sarin on magnesium oxide
A Michalkova, M Ilchenko, L Gorb, J Leszczynski
The Journal of Physical Chemistry B 108 (17), 5294-5303, 2004
852004
An analysis of stable forms of CL-20: A DFT study of conformational transitions, infrared and Raman spectra
Y Kholod, S Okovytyy, G Kuramshina, M Qasim, L Gorb, J Leszczynski
Journal of Molecular Structure 843 (1-3), 14-25, 2007
832007
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
792003
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
782004
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