Dan Thomas Major
Dan Thomas Major
Professor of Chemistry, Bar-Ilan University
Verified email at biu.ac.il - Homepage
TitleCited byYear
Mechanisms and free energies of enzymatic reactions
J Gao, S Ma, DT Major, K Nam, J Pu, DG Truhlar
Chemical reviews 106 (8), 3188-3209, 2006
3452006
Structural analysis of electrolyte solutions for rechargeable Mg batteries by stereoscopic means and DFT calculations
N Pour, Y Gofer, DT Major, D Aurbach
Journal of the American Chemical Society 133 (16), 6270-6278, 2011
1722011
(15N5)-Labeled adenine derivatives: synthesis and studies of tautomerism by 15N NMR spectroscopy and theoretical calculations
A Laxer, DT Major, HE Gottlieb, B Fischer
The Journal of organic chemistry 66 (16), 5463-5481, 2001
1322001
A combined quantum mechanical and molecular mechanical study of the reaction mechanism and α-amino acidity in alanine racemase
DT Major, J Gao
Journal of the American Chemical Society 128 (50), 16345-16357, 2006
1242006
Polymer–surfactant interactions: binding mechanism of sodium dodecyl sulfate to poly (diallyldimethylammonium chloride)
G Nizri, S Lagerge, A Kamyshny, DT Major, S Magdassi
Journal of colloid and interface science 320 (1), 74-81, 2008
922008
Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: zirconium-doped LiNi 0.6 Co 0.2 Mn 0.2 O 2
F Schipper, M Dixit, D Kovacheva, M Talianker, O Haik, J Grinblat, ...
Journal of Materials Chemistry A 4 (41), 16073-16084, 2016
812016
An Integrated Path Integral and Free-Energy Perturbation− Umbrella Sampling Method for Computing Kinetic Isotope Effects of Chemical Reactions in Solution and in Enzymes
DT Major, J Gao
Journal of chemical theory and computation 3 (3), 949-960, 2007
802007
Studies of aluminum-doped LiNi0. 5Co0. 2Mn0. 3O2: electrochemical behavior, aging, structural transformations, and thermal characteristics
D Aurbach, O Srur-Lavi, C Ghanty, M Dixit, O Haik, M Talianker, Y Grinblat, ...
Journal of The Electrochemical Society 162 (6), A1014-A1027, 2015
752015
Protonation studies of modified adenine and adenine nucleotides by theoretical calculations and 15N NMR
DT Major, A Laxer, B Fischer
The Journal of organic chemistry 67 (3), 790-802, 2002
742002
From Surface ZrO2 Coating to Bulk Zr Doping by High Temperature Annealing of Nickel‐Rich Lithiated Oxides and Their Enhanced Electrochemical Performance …
F Schipper, H Bouzaglo, M Dixit, EM Erickson, T Weigel, M Talianker, ...
Advanced Energy Materials 8 (4), 1701682, 2018
722018
Challenges posed to bornyl diphosphate synthase: diverging reaction mechanisms in monoterpenes
M Weitman, DT Major
Journal of the American Chemical Society 132 (18), 6349-6360, 2010
722010
Molecular recognition of modified adenine nucleotides by the P2Y1-receptor. 1. A synthetic, biochemical, and NMR approach
E Halbfinger, DT Major, M Ritzmann, J Ubl, G Reiser, JL Boyer, ...
Journal of medicinal chemistry 42 (26), 5325-5337, 1999
661999
Metallocorroles as Nonprecious‐Metal Catalysts for Oxygen Reduction
N Levy, A Mahammed, M Kosa, DT Major, Z Gross, L Elbaz
Angewandte Chemie International Edition 54 (47), 14080-14084, 2015
622015
Electrostatically Guided Dynamics The Root of Fidelity in a Promiscuous Terpene Synthase?
DT Major, M Weitman
Journal of the American Chemical Society 134 (47), 19454-19462, 2012
612012
Transition state stabilization and α-amino carbon acidity in alanine racemase
DT Major, K Nam, J Gao
Journal of the American Chemical Society 128 (25), 8114-8115, 2006
602006
Improving energy density and structural stability of manganese oxide cathodes for Na-ion batteries by structural lithium substitution
E de la Llave, E Talaie, E Levi, PK Nayak, M Dixit, PT Rao, P Hartmann, ...
Chemistry of Materials 28 (24), 9064-9076, 2016
582016
Differential quantum tunneling contributions in nitroalkane oxidase catalyzed and the uncatalyzed proton transfer reaction
DT Major, A Heroux, AM Orville, MP Valley, PF Fitzpatrick, J Gao
Proceedings of the National Academy of Sciences 106 (49), 20734-20739, 2009
552009
Path integral simulations of proton transfer reactions in aqueous solution using combined QM/MM potentials
DT Major, M Garcia-Viloca, J Gao
Journal of chemical theory and computation 2 (2), 236-245, 2006
522006
Implementation of the bisection sampling method in path integral simulations
DT Major, J Gao
Journal of Molecular Graphics and Modelling 24 (2), 121-127, 2005
502005
Solvent polarization and kinetic isotope effects in nitroethane deprotonation and implications to the nitroalkane oxidase reaction
DT Major, DM York, J Gao
Journal of the American Chemical Society 127 (47), 16374-16375, 2005
442005
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Articles 1–20