The polarizable point dipoles method with electrostatic damping: Implementation on a model system
出版年份 2010 全文链接
标题
The polarizable point dipoles method with electrostatic damping: Implementation on a model system
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 133, Issue 23, Pages 234101
出版商
AIP Publishing
发表日期
2010-12-16
DOI
10.1063/1.3511713
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Direct Wolf summation of a polarizable force field for silica
- (2010) Peter Brommer et al. JOURNAL OF CHEMICAL PHYSICS
- Polarization and charge transfer in the hydration of chloride ions
- (2010) Zhen Zhao et al. JOURNAL OF CHEMICAL PHYSICS
- Variation of Ion Polarizability from Vacuum to Hydration: Insights from Hirshfeld Partitioning
- (2010) Brad A. Bauer et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A fast path integral method for polarizable force fields
- (2009) George S. Fanourgakis et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular polarizabilities in aqueous proton transfer reactions
- (2009) Andrei Buin et al. JOURNAL OF CHEMICAL PHYSICS
- Building a polarizable pair interaction potential for lanthanoids(III) in liquid water: A molecular dynamics study of structure and dynamics of the whole series
- (2009) Magali Duvail et al. JOURNAL OF CHEMICAL PHYSICS
- Electrostatic dampening dampens the anion propensity for the air-water interface
- (2009) Collin D. Wick JOURNAL OF CHEMICAL PHYSICS
- Incorporating Phase-Dependent Polarizability in Nonadditive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid−Vapor Interface
- (2009) Brad A. Bauer et al. Journal of Chemical Theory and Computation
- On Ion and Molecular Polarization of Halides in Water
- (2009) Elvira Guàrdia et al. Journal of Chemical Theory and Computation
- A Coupled Polarization-Matrix Inversion and Iteration Approach for Accelerating the Dipole Convergence in a Polarizable Potential Function†
- (2009) Wangshen Xie et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Importance of van der Waals Interactions in Liquid Water
- (2009) I-Chun Lin et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Polarization effects in molecular mechanical force fields
- (2009) Piotr Cieplak et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Many-Body Polarization Effects and the Membrane Dipole Potential
- (2009) Edward Harder et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications
- (2009) Pedro E. M. Lopes et al. THEORETICAL CHEMISTRY ACCOUNTS
- MDVRY: a polarizable classical molecular dynamics package for biomolecules
- (2008) M. Souaille et al. COMPUTER PHYSICS COMMUNICATIONS
- Ab initio based polarizable force field parametrization
- (2008) Marco Masia JOURNAL OF CHEMICAL PHYSICS
- Notes on “Ewald summation of electrostatic multipole interactions up to quadrupolar level” [J. Chem. Phys. 119, 7471 (2003)]
- (2008) Teodoro Laino et al. JOURNAL OF CHEMICAL PHYSICS
- Accuracy of typical approximations in classical models of intermolecular polarization
- (2008) Pär Söderhjelm et al. JOURNAL OF CHEMICAL PHYSICS
- Polarization of Water in the First Hydration Shell of K+and Ca2+Ions
- (2008) Denis Bucher et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Molecular Dynamics Study of Polarization Effects on AgI
- (2008) Vicente Bitrián et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids: A Simulational Study
- (2008) Baofu Qiao et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Computational Investigation of the First Solvation Shell Structure of Interfacial and Bulk Aqueous Chloride and Iodide Ions†
- (2008) Collin D. Wick et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Polarizabilities of individual molecules and ions in liquids from first principles
- (2008) M Salanne et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Intermolecular Potentials
- (2008) A. J. Stone SCIENCE
- Quantum Effects Strongly Influence the Surface Premelting of Ice
- (2007) Francesco Paesani et al. Journal of Physical Chemistry C
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreDiscover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversation