Temperature-dependent hydrogen-bond geometry in liquid water
We have determined the hydrogen-bond geometry in liquid water from 0 to 80° C by
combining measurements of the proton magnetic shielding tensor with ab initio density …
combining measurements of the proton magnetic shielding tensor with ab initio density …
Molecular-dynamics simulation of liquid water with an ab initio flexible water-water interaction potential
GC Lie, E Clementi - Physical Review A, 1986 - APS
Abstract The Matsuoka-Clementi-Yoshimine (MCY) configuration interaction potential for
rigid water-water interactions has been extended to include the intramolecular vibrations …
rigid water-water interactions has been extended to include the intramolecular vibrations …
Structural study of water confined in porous glass by neutron scattering
MC Bellissent‐Funel, J Lal, L Bosio - The Journal of chemical physics, 1993 - pubs.aip.org
In order to study the structural properties of water at interfaces, we performed neutron
scattering experiments of water confined inside interconnected pores of Vycor glass. The …
scattering experiments of water confined inside interconnected pores of Vycor glass. The …
Solvation free energy of polar and nonpolar molecules in water: an extended interaction site integral equation theory in three dimensions
Q Du, D Beglov, B Roux - The Journal of Physical Chemistry B, 2000 - ACS Publications
The solvation free energy of polar and nonpolar molecules in water is examined using the
statistical mechanical integral equation theory which was recently introduced by Beglov and …
statistical mechanical integral equation theory which was recently introduced by Beglov and …
Isochoric temperature differential of the x-ray structure factor and structural rearrangements in low-temperature heavy water
L Bosio, SH Chen, J Teixeira - Physical Review A, 1983 - APS
X-ray structure factors for heavy water were measured at temperatures of 40.0, 23.5, 15.5,
11.2, 7.1, 0.2, and-11.0 C. From these data isochoric temperature differentials (ITD) were …
11.2, 7.1, 0.2, and-11.0 C. From these data isochoric temperature differentials (ITD) were …
Structure and Dynamics of Low‐Temperature Water as Studied by Scattering Techniques
Structure and Dynamics of Low‐Temperature Water as Studied by Scattering Techniques
Page 9 STRUCTURE AND DYNAMICS AS STUDIED BY SCATTERING TECHNIQUES OF …
Page 9 STRUCTURE AND DYNAMICS AS STUDIED BY SCATTERING TECHNIQUES OF …
Isochoric differential scattering functions in liquid water: The fifth neighbor as a network defect
We show that isochoric differential x-ray experiments of Bosio, Chen, and Teixeira are
consistent with the possibility that water molecules can exist in distinct configurations …
consistent with the possibility that water molecules can exist in distinct configurations …
Neutron spectroscopic investigation of dynamics of water ice
J Li, AI Kolesnikov - Journal of molecular liquids, 2002 - Elsevier
Quantitative studies of the properties of water require detailed investigation of the
intramolecular and intermolecular interactions acting between the atoms and the molecules …
intramolecular and intermolecular interactions acting between the atoms and the molecules …
Neutron scattering and diffraction studies of fluids and fluid-solid interactions
DR Cole, KW Herwig… - … in mineralogy and …, 2006 - pubs.geoscienceworld.org
Geologic fluids (defined liberally as gases, liquids, and supercritical solutions) act as
reaction media, reactants, and carriers of energy and matter in the natural environment …
reaction media, reactants, and carriers of energy and matter in the natural environment …
The bifurcated hydrogen‐bond model of water and amorphous ice
PA Giguère - The Journal of chemical physics, 1987 - pubs.aip.org
The existence of bifurcated hydrogen bonds (BHB) between three molecules as a major
feature of the structure of liquid water was postulated recently to account for the remarkable …
feature of the structure of liquid water was postulated recently to account for the remarkable …