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Donald G. Truhlar

13 ta ish

University of Minnesota

AkademScholarda batafsil koʻrsatkichlar

  1. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    MaqolaOchiq kirish200730 iqtibos
    ABI

  2. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

    Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar

    MaqolaOchiq kirish200911 iqtibos
    ABI

  3. Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory

    Roberto Peverati, Donald G. Truhlar

    Maqola201210 iqtibos
    ABI

  4. Density Functionals with Broad Applicability in Chemistry

    Yan Zhao, Donald G. Truhlar

    Maqola20088 iqtibos
    ABI

  5. M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases

    Benjamin G. Janesko, Pragya Verma, Giovanni Scalmani +2

    Maqola20203 iqtibos
    ABI

  6. Universal Quantum Mechanical Model for Solvation Free Energies Based on Gas-Phase Geometries

    Gregory D. Hawkins, Christopher J. Cramer, Donald G. Truhlar

    Maqola19983 iqtibos
    ABI

  7. Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton

    Casey P. Kelly, Christopher J. Cramer, Donald G. Truhlar

    Maqola20062 iqtibos
    ABI

  8. Chemical Applications of Atomic and Molecular Electrostatic Potentials: "Reactivity, Structure, Scattering, And Energetics Of Organic, Inorganic, And Biological Systems"

    Peter Politzer, Donald G. Truhlar

    Kitob20132 iqtibos
    ABI

  9. Chemical Applications of Atomic and Molecular Electrostatic Potentials

    Peter Politzer, Donald G. Truhlar

    Kitob19812 iqtibos
    ABI

  10. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

    Yan Zhao, Donald G. Truhlar

    Maqola20062 iqtibos
    ABI

  11. Atom-Cage Charge Transfer in Endohedral Metallofullerenes: Trapping Atoms Within a Sphere-Like Ridge of Avoided Crossings

    Oksana Tishchenko, Donald G. Truhlar

    Maqola20132 iqtibos
    ABI

  12. On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

    Denis Jacquemin, Éric A. Perpète, Ilaria Ciofini +4

    Maqola20102 iqtibos
    ABI

  13. Class IV charge models: A new semiempirical approach in quantum chemistry

    Joey W. Storer, David J. Giesen, Christopher J. Cramer +1

    Maqola19952 iqtibos
    ABI