- Home
- Publications
- Publication Search
- Publication Details
Title
A transferable ab initio based force field for aqueous ions
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 11, Pages 114507
Publisher
AIP Publishing
Online
2012-03-17
DOI
10.1063/1.3692965
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Including many-body effects in models for ionic liquids
- (2012) Mathieu Salanne et al. THEORETICAL CHEMISTRY ACCOUNTS
- How Mobile Are Sorbed Cations in Clays and Clay Rocks?
- (2011) T. Gimmi et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Ions in solutions: Determining their polarizabilities from first-principles
- (2011) John J. Molina et al. JOURNAL OF CHEMICAL PHYSICS
- Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. I: Molecular Dynamics Simulations
- (2011) Helgi I. Ingólfsson et al. JOURNAL OF PHYSICAL CHEMISTRY B
- A dipole polarizable potential for reduced and doped CeO2obtained from first principles
- (2011) Mario Burbano et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Simulating water with rigid non-polarizable models: a general perspective
- (2011) Carlos Vega et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Advances in Understanding Damage by Salt Crystallization
- (2010) Rosa M. Espinosa-Marzal et al. ACCOUNTS OF CHEMICAL RESEARCH
- The polarizable point dipoles method with electrostatic damping: Implementation on a model system
- (2010) Jonàs Sala et al. JOURNAL OF CHEMICAL PHYSICS
- Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field
- (2010) Haibo Yu et al. Journal of Chemical Theory and Computation
- High-pressure behaviour of GeO2: a simulation study
- (2010) Dario Marrocchelli et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- From Localized Orbitals to Material Properties: Building Classical Force Fields for Nonmetallic Condensed Matter Systems
- (2010) Benjamin Rotenberg et al. PHYSICAL REVIEW LETTERS
- Effect of Ions on the Structure of Water: Structure Making and Breaking
- (2009) Yizhak Marcus CHEMICAL REVIEWS
- On the driving force of cation exchange in clays: Insights from combined microcalorimetry experiments and molecular simulation
- (2009) Benjamin Rotenberg et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials
- (2009) Norikazu Ohtori et al. JOURNAL OF CHEMICAL PHYSICS
- Rational design of ion force fields based on thermodynamic solvation properties
- (2009) Dominik Horinek et al. JOURNAL OF CHEMICAL PHYSICS
- A Molecular Dynamics Study of the Early Stages of Calcium Carbonate Growth
- (2009) Gareth A. Tribello et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations ofN-Methylacetamide in Aqueous Salt Solutions
- (2009) Jan Heyda et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The preparation and structure of salty ice VII under pressure
- (2009) Stefan Klotz et al. NATURE MATERIALS
- Significance of carbonate buffers in natural waters reacting with supercritical CO2: Implications for monitoring, measuring and verification (MMV) of geologic carbon sequestration
- (2008) Dennis L. Newell et al. GEOPHYSICAL RESEARCH LETTERS
- 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
- The Role of Conformation in Ion Permeation in a K+Channel
- (2008) Carmen Domene et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Van der Waals Interactions in DFT Made Easy by Wannier Functions
- (2008) Pier Luigi Silvestrelli PHYSICAL REVIEW LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now