Electrical response in chemical potential equalization schemes
- 8 November 1999
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 111 (18), 8569-8575
- https://doi.org/10.1063/1.480198
Abstract
No abstract availableKeywords
This publication has 29 references indexed in Scilit:
- Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge modelThe Journal of Chemical Physics, 1999
- Constructing ab initio force fields for molecular dynamics simulationsThe Journal of Chemical Physics, 1998
- Generalized molecular mechanics including quantum electronic structure variation of polar solvents. I. Theoretical formulation via a truncated adiabatic basis set descriptionThe Journal of Chemical Physics, 1998
- Ab initio molecular dynamics simulation of liquid hydrogen fluorideThe Journal of Chemical Physics, 1997
- Ab initiomolecular dynamics simulation of liquids and solutionsJournal of Physics: Condensed Matter, 1996
- Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionalsThe Journal of Chemical Physics, 1996
- Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in waterThe Journal of Chemical Physics, 1995
- Molecular-dynamics simulation of liquid methanolThe Journal of Physical Chemistry, 1987
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- Molecular Dynamics Study of Liquid WaterThe Journal of Chemical Physics, 1971