Dan Thomas Major
Dan Thomas Major
Professor of Chemistry, Bar-Ilan University
Verified email at - Homepage
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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
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
Pushing the limit of layered transition metal oxide cathodes for high-energy density rechargeable Li ion batteries
UH Kim, DW Jun, KJ Park, Q Zhang, P Kaghazchi, D Aurbach, DT Major, ...
Energy & environmental science 11 (5), 1271-1279, 2018
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
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
Origin of structural degradation during cycling and low thermal stability of Ni-rich layered transition metal-based electrode materials
M Dixit, B Markovsky, F Schipper, D Aurbach, DT Major
The journal of physical chemistry C 121 (41), 22628-22636, 2017
Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1–xyCoxMnyO2 and LiNi1–xyCoxAlyO2
A Chakraborty, S Kunnikuruvan, S Kumar, B Markovsky, D Aurbach, ...
Chemistry of Materials 32 (3), 915-952, 2020
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
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
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, 2015
(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
Thermodynamic and kinetic studies of LiNi 0.5 Co 0.2 Mn 0.3 O 2 as a positive electrode material for Li-ion batteries using first principles
M Dixit, M Kosa, OS Lavi, B Markovsky, D Aurbach, DT Major
Physical Chemistry Chemical Physics 18 (9), 6799-6812, 2016
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
Unraveling the effects of Al doping on the electrochemical properties of LiNi0. 5Co0. 2Mn0. 3O2 using first principles
M Dixit, B Markovsky, D Aurbach, DT Major
Journal of The Electrochemical Society 164 (1), A6359, 2017
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
Predicting accurate cathode properties of layered oxide materials using the SCAN meta-GGA density functional
A Chakraborty, M Dixit, D Aurbach, DT Major
npj Computational Materials 4 (1), 60, 2018
Unique Behavior of Dimethoxyethane (DME)/Mg(N(SO2CF3)2)2 Solutions
M Salama, I Shterenberg, H Gizbar, NN Eliaz, M Kosa, K Keinan-Adamsky, ...
The Journal of Physical Chemistry C 120 (35), 19586-19594, 2016
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
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
Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co3O4
V Singh, M Kosa, K Majhi, DT Major
Journal of chemical theory and computation 11 (1), 64-72, 2015
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