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Items where Person is "Oppenheim-J-J"

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Oppenheim, Julius J. and McNicholas, Brendon J. and Miller, Jayce et al. (2019) Electronic Structure of Tetracyanonickelate(II). Inorganic Chemistry, 58 (22). pp. 15202-15206. ISSN 0020-1669.

Naserifar, Saber and Oppenheim, Julius J. and Yang, Hao et al. (2019) Accurate non-bonded potentials based on periodic quantum mechanics calculations for use in molecular simulations of materials and systems. Journal of Chemical Physics, 151 (15). Art. No. 154111. ISSN 0021-9606.

Buss, Joshua A. and Bailey, Gwendolyn A. and Oppenheim, Julius et al. (2019) CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone. Journal of the American Chemical Society, 141 (39). pp. 15664-15674. ISSN 0002-7863.

Ilyin, Daniil V. and Goddard, William A., III and Oppenheim, Julius J. et al. (2019) First-principles–based reaction kinetics from reactive molecular dynamics simulations: Application to hydrogen peroxide decomposition. Proceedings of the National Academy of Sciences of the United States of America, 116 (37). pp. 18202-18208. ISSN 0027-8424. PMCID PMC6744889.

Merinov, Boris V. and Zybin, Sergey V. and Naserifar, Saber et al. (2019) Interface Structure in Li-Metal/[Pyr_(14)][TFSI]-Ionic Liquid System from Ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry Letters, 10 (16). pp. 4577-4586. ISSN 1948-7185.


Oppenheim, Julius J. and Naserifar, Saber and Goddard, William A., III (2018) Extension of the Polarizable Charge Equilibration Model to Higher Oxidation States with Applications to Ge, As, Se, Br, Sn, Sb, Te, I, Pb, Bi, Po, and At Elements. Journal of Physical Chemistry A, 122 (2). pp. 639-645. ISSN 1089-5639.

This list was generated on Thu Feb 20 12:08:23 2020 PST.