## Abstract We present results of molecular dynamics simulations of a model DPPCβwater monolayer using charge equilibration (CHEQ) force fields, which explicitly account for electronic polarization in a classical treatment of intermolecular interactions. The surface pressure, determined as the diff
β¦ LIBER β¦
Recent applications and developments of charge equilibration force fields for modeling dynamical charges in classical molecular dynamics simulations
β Scribed by Brad A. Bauer; Sandeep Patel
- Book ID
- 113021731
- Publisher
- Springer
- Year
- 2012
- Tongue
- English
- Weight
- 666 KB
- Volume
- 131
- Category
- Article
- ISSN
- 1432-2234
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