Daniel Major

Affiliations: 
University of California, San Diego, La Jolla, CA 
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"Daniel Major"
Mean distance: 14.44 (cluster 17)
 
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Publications

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Pshetitsky Y, Eitan R, Verner G, et al. (2016) Improved Sugar Puckering Profiles for Nicotinamide Ribonucleoside for Hybrid QM/MM Simulations. Journal of Chemical Theory and Computation
Das S, Dixit M, Major DT. (2016) First principles model calculations of the biosynthetic pathway in selinadiene synthase. Bioorganic & Medicinal Chemistry
Hevroni BL, Major DT, Dixit M, et al. (2016) Nucleoside-2',3'/3',5'-bis(thio)phosphate antioxidants are also capable of disassembly of amyloid beta42-Zn(ii)/Cu(ii) aggregates via Zn(ii)/Cu(ii)-chelation. Organic & Biomolecular Chemistry
Guo Q, Gakhar L, Wickersham K, et al. (2016) Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry
Singh V, Major DT. (2016) Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective. Inorganic Chemistry
Singh V, Dixit M, Kosa M, et al. (2016) Is it True That the Normal Valence-Length Correlation Is Irrelevant for Metal-Metal Bonds? Chemistry (Weinheim An Der Bergstrasse, Germany)
Dixit M, Kosa M, Lavi OS, et al. (2016) Thermodynamic and kinetic studies of LiNi0.5Co0.2Mn0.3O2 as a positive electrode material for Li-ion batteries using first principles. Physical Chemistry Chemical Physics : Pccp
Kosa M, Barad HN, Singh V, et al. (2015) A combined computational and experimental investigation of Mg doped α-Fe2O3. Physical Chemistry Chemical Physics : Pccp
Singh V, Kosa M, Majhi K, et al. (2015) Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co3O4. Journal of Chemical Theory and Computation. 11: 64-72
Singh V, Gershinsky Y, Kosa M, et al. (2015) Magnetism in olivine-type LiCo1-xFexPO4 cathode materials: bridging theory and experiment. Physical Chemistry Chemical Physics : Pccp
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