Related references
Note: Only part of the references are listed.Effect of Ground Granulated Blast Furnace Slag Particle Size Distribution on Paste Rheology: A Preliminary Model
Alireza Kashani et al.
POWDERS AND GRAINS 2013 (2013)
Direct Wolf summation of a polarizable force field for silica
Peter Brommer et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Polarization and charge transfer in the hydration of chloride ions
Zhen Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Variation of Ion Polarizability from Vacuum to Hydration: Insights from Hirshfeld Partitioning
Brad A. Bauer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
MDVRY: a polarizable classical molecular dynamics package for biomolecules
M. Souaille et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
A fast path integral method for polarizable force fields
George S. Fanourgakis et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Molecular polarizabilities in aqueous proton transfer reactions
Andrei Buin et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Building a polarizable pair interaction potential for lanthanoids(III) in liquid water: A molecular dynamics study of structure and dynamics of the whole series
Magali Duvail et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Electrostatic dampening dampens the anion propensity for the air-water interface
Collin D. Wick
JOURNAL OF CHEMICAL PHYSICS (2009)
Incorporating Phase-Dependent Polarizability in Nonadditive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface
Brad A. Bauer et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
On Ion and Molecular Polarization of Halides in Water
Elvira Guardia et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
A Coupled Polarization-Matrix Inversion and Iteration Approach for Accelerating the Dipole Convergence in a Polarizable Potential Function
Wangshen Xie et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Computational Investigation of the First Solvation Shell Structure of Interfacial and Bulk Aqueous Chloride and Iodide Ions
Collin A. Wick et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Importance of van der Waals Interactions in Liquid Water
I-Chun Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Polarization effects in molecular mechanical force fields
Piotr Cieplak et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Many-Body Polarization Effects and the Membrane Dipole Potential
Edward Harder et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications
Pedro E. M. Lopes et al.
THEORETICAL CHEMISTRY ACCOUNTS (2009)
Ab initio based polarizable force field parametrization
Marco Masia
JOURNAL OF CHEMICAL PHYSICS (2008)
Notes on Ewald summation of electrostatic multipole interactions up to quadrupolar level [J. Chem. Phys. 119, 7471 (2003)]
Teodoro Laino et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Accuracy of typical approximations in classical models of intermolecular polarization
Par Soderhjelm et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Polarization of water in the first hydration shell of K+ and Ca2+ ions
Denis Bucher et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Molecular dynamics study of polarization effects on AgI
Vicente Bitrian et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: A simulational study
Baofu Qiao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Quantum effects strongly influence the surface premelting of ice
Francesco Paesani et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Polarizabilities of individual molecules and ions in liquids from first principles
M. Salanne et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Intermolecular potentials
Anthony J. Stone
SCIENCE (2008)
Key role of the polarization anisotropy of water in modeling classical polarizable force fields
Jean-Philip Piquemal et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics
Thomas D. Kuhne et al.
PHYSICAL REVIEW LETTERS (2007)
Condensed phase ionic polarizabilities from plane wave density functional theory calculations
Robert J. Heaton et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Simulation of Ca2+ and Mg2+ solvation using polarizable atomic multipole potential
Dian Jiao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure
Jean-Philip Piquemal et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Specific ion effects at the air/water interface
P Jungwirth et al.
CHEMICAL REVIEWS (2006)
Polarization damping in halide-water dimers
M Masia et al.
CHEMICAL PHYSICS LETTERS (2006)
Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field
G Lamoureux et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Accounting for polarization in molecular simulation
HB Yu et al.
COMPUTER PHYSICS COMMUNICATIONS (2005)
Improvement of semiempirical response properties with charge-dependent response density
TJ Giese et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation
M Masia et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Fast evaluation of polarizable forces
W Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
M Krack
THEORETICAL CHEMISTRY ACCOUNTS (2005)
From dimer to condensed phases at extreme conditions: Accurate predictions of the properties of water by a Gaussian charge polarizable model
P Paricaud et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Time-reversible always stable predictor-corrector method for molecular dynamics of polarizable molecules
J Kolafa
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Molecular dynamics of potential models with polarizability: comparison of methods
J Genzer et al.
JOURNAL OF MOLECULAR LIQUIDS (2004)
An ab initio molecular dynamics study of the aqueous liquid-vapor interface
IFW Kuo et al.
SCIENCE (2004)
Development of an accurate and robust polarizable molecular mechanics force field from ab initio quantum chemistry
GA Kaminski et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Liquid water from first principles: Investigation of different sampling approaches
IFW Kuo et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations
C Sagui et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge
M Masia et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Optimization of effective atom centered potentials for London dispersion forces in density functional theory
OA von Lilienfeld et al.
PHYSICAL REVIEW LETTERS (2004)
Ewald summation of electrostatic multipole interactions up to the quadrupolar level
A Aguado et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
G Lamoureux et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Polarizable atomic multipole water model for molecular mechanics simulation
PY Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Water polarizability in condensed phase:: Ab initio evaluation by cluster approach
A Morita
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
An ab initio parametrized interatomic force field for silica
P Tangney et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Estimate of the cutoff errors in the Ewald summation for dipolar systems
ZW Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions
A Toukmaji et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Ewald summation and reaction field methods for potentials with atomic charges, dipoles, and polarizabilities
TM Nymand et al.
JOURNAL OF CHEMICAL PHYSICS (2000)