| 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 | 319 | 1998 |
| 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 | 250 | 2004 |
| 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 | 191 | 2007 |
| 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 | 167 | 2000 |
| 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 | 151 | 1999 |
| 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 | 140 | 2004 |
| 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 | 139 | 2000 |
| 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 | 138 | 2008 |
| 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 | 120 | 2006 |
| Structure-toxicity relationships of nitroaromatic compounds: Full-length paper O Isayev, B Rasulev, L Gorb, J Leszczynski Molecular diversity 10, 233-245, 2006 | 114 | 2006 |
| 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 | 113 | 2005 |
| 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 | 113 | 2003 |
| 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 | 108 | 1998 |
| 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 | 100 | 1999 |
| 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 | 99 | 2000 |
| 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 | 99 | 2000 |
| 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 | 98 | 2007 |
| 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 | 90 | 2004 |
| 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 | 83 | 2004 |
| 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 | 82 | 2003 |
