Related references
Note: Only part of the references are listed.Lewis-inspired representation of dissociable water in clusters and Grotthuss chains
Seyit Kale et al.
JOURNAL OF BIOLOGICAL PHYSICS (2012)
Natural polarizability and flexibility via explicit valency: The case of water
Seyit Kale et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton
Dominik Marx et al.
CHEMICAL REVIEWS (2010)
The reorientation mechanism of hydroxide ions in water: A molecular dynamics study
Xiuquan Sun et al.
CHEMICAL PHYSICS LETTERS (2009)
A multistate empirical valence bond model for solvation and transport simulations of OH- in aqueous solutions
Ivan S. Ufimtsev et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions
Sean T. Roberts et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
An improved multistate empirical valence bond model for aqueous proton solvation and transport (vol 112B, pg 467, 2008)
Yujie Wu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Special pair dance and partner selection: Elementary steps in proton transport in liquid water
Omer Markovitch et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Interaction between liquid water and hydroxide revealed by core-hole de-excitation
Emad F. Aziz et al.
NATURE (2008)
A charged ring model for classical OH-(aq) simulations
Ivan S. Ufimtsev et al.
CHEMICAL PHYSICS LETTERS (2007)
Structure of 2 molar NaOH in aqueous solution from neutron diffraction and empirical potential structure refinement
Sylvia E. McLain et al.
PHYSICAL REVIEW B (2006)
Ultrafast vibrational and structural dynamics of the proton in liquid water
S Woutersen et al.
PHYSICAL REVIEW LETTERS (2006)
Structure and dynamics of OH-(aq)
ME Tuckerman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2006)
Ab initio molecular-dynamics simulation of aqueous proton solvation and transport revisited -: art. no. 044505
S Izvekov et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Solvation shell of OH- ions in water
A Botti et al.
JOURNAL OF MOLECULAR LIQUIDS (2005)
Ions in water: The microscopic structure of a concentrated HCl solution
A Botti et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Hydration and mobility of HO-(aq)
D Asthagiri et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Spectroscopic determination of the OH- solvation shell in the OH-•(H2O)n clusters
WH Robertson et al.
SCIENCE (2003)
Ab initio molecular dynamics investigation of the concentration dependence of charged defect transport in basic solutions via calculation of the infrared spectrum
ZW Zhu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
First-principles study of aqueous hydroxide solutions
B Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
The nature and transport mechanism of hydrated hydroxide ions in aqueous solution
ME Tuckerman et al.
NATURE (2002)
Ab initio calculation of proton barrier and binding energy of the (H2O)OH- complex
CCM Samson et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2002)
Development of transferable interaction models for water.: IV.: A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface
CJ Burnham et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Infrared spectra and isomeric structures of hydroxide ion-water clusters OH- (H2O)1-5:: a comparison with H3O+ (H2O)1-5
C Chaudhuri et al.
MOLECULAR PHYSICS (2001)
Isotope effect on the translational and rotational motion in liquid water and ammonia
EH Hardy et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Understanding modern molecular dynamics: Techniques and applications
ME Tuckerman et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
Share Paper
