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Projects

Research Output

Conservation of Angular Momentum in Direct Nonadiabatic Dynamics

Shu, Y., Zhang, L., Varga, Z., Parker, K. A., Kanchanakungwankul, S., Sun, S. & Truhlar, D. G., Feb 6 2020, In : Journal of Physical Chemistry Letters. 11, 3, p. 1135-1140 6 p.

Research output: Contribution to journalArticle

  • M06-SX screened-exchange density functional for chemistry and solid-state physics

    Wang, Y., Verma, P., Zhang, L., Li, Y., Liu, Z., Truhlar, D. G. & He, X., Feb 4 2020, In : Proceedings of the National Academy of Sciences of the United States of America. 117, 5, p. 2294-2301 8 p.

    Research output: Contribution to journalArticle

  • Multistep Reaction Pathway for CO2 Reduction on Hydride-Capped Si Nanosheets

    Xia, L., Liao, X., He, Q., Wang, H., Zhao, Y. & Truhlar, D. G., Feb 6 2020, In : ChemCatChem. 12, 3, p. 722-725 4 p.

    Research output: Contribution to journalArticle

  • 1 Scopus citations

    Transition Metal Spin-State Energetics by MC-PDFT with High Local Exchange

    Stoneburner, S. J., Truhlar, D. G. & Gagliardi, L., Feb 13 2020, In : Journal of Physical Chemistry A. 124, 6, p. 1187-1195 9 p.

    Research output: Contribution to journalArticle