Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures (original) (raw)

Supplementary Resources - "Hydrogen bonds and van der waals forces in ice at ambient and high pressures

Ben Slater

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Structure and Symmetrization of Hydrogen Bonding in Ices VIII and X at High Pressure: A Density Functional Theory Approach

Narayan Adhikari

Journal of Institute of Science and Technology, 2015

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On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures

Biswajit Santra

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Ab initio investigation of hydrogen bonding and electronic structure of high-pressure phases of ice

Renjun Xu

2007

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Ab initio simulation of hydrogen bonding in ices under ultra-high pressure

Alexander Kolesnikov

The Journal of Chemical Physics, 2012

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Path-integral simulation of ice I_{h}: The effect of pressure

Rafael Robina Ramírez

Physical Review B, 2011

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The hydrogen bond in ice probed by soft x-ray spectroscopy and density functional theory

Dennis Nordlund

Chemical Physics, 2005

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Pressure-Induced Phase Transitions of Proton-Ordered Ices at the Low Temperature Limit

Yosuke Kataoka

Journal of Computer Chemistry Japan

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De glaciēbus or deductive molecular mechanics of ice polymorphs

Andrei Tchougreeff

Theoretical Chemistry Accounts, 2018

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Pressure-driven symmetry transitions in dense H2O ice

John H. Boisvert

Physical Review B, 2022

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Structure and disorder in ice VII on the approach to hydrogen-bond symmetrization

C. Tulk

Physical Review B, 2019

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Structural studies of low temperature ice Ih using a central force potential model

Peter Deutsch

The Journal of Chemical Physics, 1983

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Anomalous Pressure-Induced Transition(s) in Ice XI

Stefano de Gironcoli

Physical Review Letters, 2004

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Equations of state of ice VI and ice VII at high pressure and high temperature

Isabelle Daniel

The Journal of Chemical Physics, 2014

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Hydrogen Bond Asymmetric Local Potentials in Compressed Ice

Changqing Sun

The Journal of Physical Chemistry B, 2013

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Missing short-range interactions in the hydrogen bond of compressed ice

Changqing Sun

arXiv (Cornell University), 2013

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Phase Behavior of Different Forms of Ice Filled with Hydrogen Molecules

lukman hakim

Physical Review Letters, 2010

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Structure and Decompression Melting of a Novel, High-Pressure Nanoconfined 2-D Ice

Andrey G Kalinichev

The Journal of Physical Chemistry B, 2005

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Ab initio study of the structure and dynamical properties of crystalline ice

Waheed Adeagbo

Phase Transitions, 2005

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Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers

Bengt Lundqvist

The Journal of Chemical Physics, 2009

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Excess Hydrogen Bond at the Ice-Vapor Interface around 200 K

Huib Bakker

Physical review letters, 2017

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A molecular dynamics study of ices III and V using TIP4P and TIP5P water models

Ricardo Balta Ayala

Canadian Journal of Physics, 2003

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A powerful computational crystallography method to study ice polymorphism

Bruno D'Aguanno

The Journal of Chemical Physics, 2011

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Isobaric annealing of high-density amorphous ice between 0.3 and 1.9 GPa: in situ density values and structural changes

Christoph Salzmann

Physical Chemistry Chemical Physics, 2006

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Structural Models of Water and Ice Regarding the Energy of Hydrogen Bonding

Ignat Ignatov

Nanotechnology Research and Practice, 2015

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The Combined Influence of Nuclear Quantum Effects and van der Waals Interactions on the Structure of Ambient Water

J Miguel Morales

arXiv (Cornell University), 2014

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Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

K. Wikfeldt

Journal of Physical Chemistry B, 2011

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