Related references
Note: Only part of the references are listed.Lattice constants and thermal expansion of H2O and D2O Ice Ih between 10 and 265 K (vol 50, pg 644, 1994)
K. Roettger et al.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (2012)
Dispersion Interactions and Vibrational Effects in Ice as a Function of Pressure: A First Principles Study
Eamonn D. Murray et al.
PHYSICAL REVIEW LETTERS (2012)
Anomalous Nuclear Quantum Effects in Ice
B. Pamuk et al.
PHYSICAL REVIEW LETTERS (2012)
Isotope effects in ice Ih: A path-integral simulation
Carlos P. Herrero et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A powerful computational crystallography method to study ice polymorphism
M. Cogoni et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Density, structure, and dynamics of water: The effect of van der Waals interactions
Jue Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Accelerating the convergence of path integral dynamics with a generalized Langevin equation
Michele Ceriotti et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Structural transformation in supercooled water controls the crystallization rate of ice
Emily B. Moore et al.
NATURE (2011)
Free energy calculations for a flexible water model
Scott Habershon et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Simulating water with rigid non-polarizable models: a general perspective
Carlos Vega et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Kinetic energy of protons in ice Ih and water: A path integral study
R. Ramirez et al.
PHYSICAL REVIEW B (2011)
Path-integral simulation of ice Ih: The effect of pressure
Carlos P. Herrero et al.
PHYSICAL REVIEW B (2011)
Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures
Biswajit Santra et al.
PHYSICAL REVIEW LETTERS (2011)
Heat capacity of water: A signature of nuclear quantum effects
C. Vega et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Quantum path integral simulation of isotope effects in the melting temperature of ice Ih
R. Ramirez et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Phase Diagram of H2O: Thermodynamic Functions of the Phase Transitions of High-Pressure Ices
A. N. Dunaeva et al.
SOLAR SYSTEM RESEARCH (2010)
Relation between the OH stretching frequency and the OO distance in time-resolved infrared spectroscopy of hydrogen bonding
Savo Bratos et al.
CHEMICAL PHYSICS (2009)
Quantum contributions in the ice phases: The path to a new empirical model for water-TIP4PQ/2005
Carl McBride et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
On the phase diagram of water with density functional theory potentials: The melting temperature of ice Ih with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals
Soohaeng Yoo et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Competing quantum effects in the dynamics of a flexible water model
Scott Habershon et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
A refined ring polymer contraction scheme for systems with electrostatic interactions
Thomas E. Markland et al.
CHEMICAL PHYSICS LETTERS (2008)
Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water
George S. Fanourgakis et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins
C. Vega et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Nuclear quantum effects in water
Joseph A. Morrone et al.
PHYSICAL REVIEW LETTERS (2008)
Quantum effects in liquid water from an ab initio-based polarizable force field
Francesco Paesani et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Heat capacities and thermodynamic functions of hexagonal ice from T=0.5 K to T=38 K
Stacey J. Smith et al.
JOURNAL OF CHEMICAL THERMODYNAMICS (2007)
An accurate and simple quantum model for liquid water
Francesco Paesani et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
A new equation of state for H2O ice Ih
R Feistel et al.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2006)
Electrons and hydrogen-bond connectivity in liquid water -: art. no. 016404
MV Fernández-Serra et al.
PHYSICAL REVIEW LETTERS (2006)
Equation of state of ordinary ice Ih at 145 K under true hydrostatic pressure up to 5 kbar
T Strässle et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2005)
Calculation of heat capacities of light and heavy water by path-integral molecular dynamics
M Shiga et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
The incompressibility and thermal expansivity of D2O ice II determined by powder neutron diffraction
AD Fortes et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2005)
Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
WL Jorgensen et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Quantum effects in light and heavy liquid water:: A rigid-body centroid molecular dynamics study
LH de la Peña et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Network equilibration and first-principles liquid water
MV Fernández-Serra et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Phase diagram of water from computer simulation
E Sanz et al.
PHYSICAL REVIEW LETTERS (2004)
Van der Waals density functional for general geometries -: art. no. 246401
M Dion et al.
PHYSICAL REVIEW LETTERS (2004)
Melting points and thermal expansivities of proton-disordered hexagonal ice with several model potentials
Y Koyama et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Hydrogen bonding in water
B Chen et al.
PHYSICAL REVIEW LETTERS (2003)
Reassigning hydrogen-bond centering in dense ice
M Benoit et al.
PHYSICAL REVIEW LETTERS (2002)
Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions
MW Mahoney et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Quantum effects in liquid water:: Path-integral simulations of a flexible and polarizable ab initio model
HA Stern et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Thermodynamics of hexagonal-close-packed iron under Earth's core conditions -: art. no. 045123
D Alfè et al.
PHYSICAL REVIEW B (2001)
Hydrogen bonds between water molecules: Thermal expansivity of ice and water
H Tanaka
JOURNAL OF MOLECULAR LIQUIDS (2001)
The structure and ordering of ices III and V
C Lobban et al.
JOURNAL OF CHEMICAL PHYSICS (2000)