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William A. Goddard

12 ta ish

California Institute of Technology

AkademScholarda batafsil koʻrsatkichlar

  1. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

    Anthony K. Rappé, C. J. Casewit, K. S. Colwell +2

    Maqola199219 iqtibos
    ABI

  2. ReaxFF:  A Reactive Force Field for Hydrocarbons

    Adri C. T. van Duin, Siddharth Dasgupta, François Lorant +1

    MaqolaOchiq kirish200117 iqtibos
    ABI

  3. DREIDING: a generic force field for molecular simulations

    Stephen L. Mayo, Barry D. Olafson, William A. Goddard

    Maqola19909 iqtibos
    ABI

  4. ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

    Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard

    Maqola20086 iqtibos
    ABI

  5. Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

    Jonathan E. Mueller, Adri C. T. van Duin, William A. Goddard

    Maqola20103 iqtibos
    ABI

  6. Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

    Vyacheslav S. Bryantsev, Mamadou S. Diallo, William A. Goddard

    Maqola20082 iqtibos
    ABI

  7. Application of transition state theory to desorption from solid surfaces: Ammonia on Ni(111)

    Antonio Redondo, Yehuda Zeiri, John J. Low +1

    Maqola19832 iqtibos
    ABI

  8. The ferroelectric and cubic phases in BaTiO <sub>3</sub> ferroelectrics are also antiferroelectric

    Qingsong Zhang, Tahir Çağın, William A. Goddard

    Maqola20062 iqtibos
    ABI

  9. ReaxFF<sub>SiO</sub> Reactive Force Field for Silicon and Silicon Oxide Systems

    Adri C. T. van Duin, Alejandro Strachan, Shannon F. Stewman +3

    Maqola20032 iqtibos
    ABI

  10. Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface

    Seung Soon Jang, Yun Hee Jang, Yong‐Hoon Kim +8

    Maqola20052 iqtibos
    ABI

  11. Structures and Properties of Self-Assembled Monolayers of Bistable [2]Rotaxanes on Au (111) Surfaces from Molecular Dynamics Simulations Validated with Experiment

    Seung Soon Jang, Yun Hee Jang, Yong‐Hoon Kim +10

    Maqola20052 iqtibos
    ABI

  12. Mechanically bonded macromolecules

    Lei Fang, Mark A. Olson, Diego Benítez +3

    Sharh maqola20092 iqtibos
    ABI