Polarizable Empirical Force Field for Aromatic Compounds Based on the Classical Drude Oscillator
- 27 February 2007
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 111 (11), 2873-2885
- https://doi.org/10.1021/jp0663614
Abstract
No abstract availableKeywords
This publication has 107 references indexed in Scilit:
- Hydration of Amino Acid Side Chains: Nonpolar and Electrostatic Contributions Calculated from Staged Molecular Dynamics Free Energy Simulations with Explicit Water MoleculesThe Journal of Physical Chemistry B, 2004
- Empirical force fields for biological macromolecules: Overview and issuesJournal of Computational Chemistry, 2004
- All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of ProteinsThe Journal of Physical Chemistry B, 1998
- Monte Carlo Study of Small Benzene Clusters. 2. Transition from Rigid to Fluxional FormsThe Journal of Physical Chemistry, 1995
- Dynamics with the Shell ModelMolecular Simulation, 1995
- The structure and dynamics of solid benzene. II. Molecular dynamics studiesThe Journal of Chemical Physics, 1993
- Structure of liquid benzene and naphthalene studied by pulsed neutron total scatteringThe Journal of Chemical Physics, 1990
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Molecular Quadrupole Moment, Molecular Magnetic Susceptibilities, and Molecular g Values in BenzeneThe Journal of Chemical Physics, 1969