Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations
出版年份 2013 全文链接
标题
Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 138, Issue 15, Pages 154102
出版商
AIP Publishing
发表日期
2013-04-17
DOI
10.1063/1.4801322
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。- Solubility of NaCl in water by molecular simulation revisited
- (2012) J. L. Aragones et al. JOURNAL OF CHEMICAL PHYSICS
- A set of molecular models for alkali and halide ions in aqueous solution
- (2012) Stephan Deublein et al. JOURNAL OF CHEMICAL PHYSICS
- Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules
- (2012) Maria Fyta et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Simulation of Aqueous Electrolyte Solubility. 3. Alkali-Halide Salts and Their Mixtures in Water and in Hydrochloric Acid
- (2012) Filip Moučka et al. JOURNAL OF PHYSICAL CHEMISTRY B
- An overview of the Amber biomolecular simulation package
- (2012) Romelia Salomon-Ferrer et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water
- (2011) Maria M. Reif et al. JOURNAL OF CHEMICAL PHYSICS
- A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides
- (2011) Moon Bae Gee et al. Journal of Chemical Theory and Computation
- Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl
- (2011) Filip Moučka et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Front cover
- (2011) PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A classical polarizable model for simulations of water and ice
- (2011) Linda Viererblová et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ionic force field optimization based on single-ion and ion-pair solvation properties
- (2010) Maria Fyta et al. JOURNAL OF CHEMICAL PHYSICS
- A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols
- (2010) Andrew S. Paluch et al. JOURNAL OF CHEMICAL PHYSICS
- The effect of urea on the morphology of NaCl crystals: A combined theoretical and simulation study
- (2009) Paul E. Smith FLUID PHASE EQUILIBRIA
- Rational design of ion force fields based on thermodynamic solvation properties
- (2009) Dominik Horinek et al. JOURNAL OF CHEMICAL PHYSICS
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
- (2008) In Suk Joung et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Irreducible Finite-Size Effects in the Surface Free Energy of NaCl Crystals from Crystal-Nucleation Data
- (2008) T. Zykova-Timan et al. PHYSICAL REVIEW LETTERS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started