about
Ground-state structures of ice at high pressures from ab initio random structure searchingNovel H 2 - H 2 O clathrates at high pressuresFirst principles molecular dynamics study of filled ice hydrogen hydrate.The random phase approximation applied to ice.Raman spectra from symmetric hydrogen bonds in water by high-intensity laser-induced breakdown.Hydrophobic interaction and hydrogen-bond network for a methane pair in liquid water.On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures.The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective.A powerful computational crystallography method to study ice polymorphism.Pressure induced structural phase transition in triglycine sulfate and triglycine selenate.Assessment of density functional theory to calculate the phase transition pressure of ice.Hydrogen bonds and van der waals forces in ice at ambient and high pressures.Tunneling and delocalization effects in hydrogen bonded systems: a study in position and momentum space.Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids.Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials.Ab initio studies on the structural and dynamical properties of ice.Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K.Exact Factorization-Based Density Functional Theory of Electrons and Nuclei.Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system.First principles centroid molecular dynamics simulation of high pressure ices.Density functional pseudopotential studies of molecular geometries, vibrations, and binding energiesTunnelling and zero-point motion in high-pressure ice
P2860
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P2860
description
1992 nî lūn-bûn
@nan
1992年の論文
@ja
1992年学术文章
@wuu
1992年学术文章
@zh-cn
1992年学术文章
@zh-hans
1992年学术文章
@zh-my
1992年学术文章
@zh-sg
1992年學術文章
@yue
1992年學術文章
@zh
1992年學術文章
@zh-hant
name
Ab initio studies on high pressure phases of ice.
@en
Ab initio studies on high pressure phases of ice.
@nl
type
label
Ab initio studies on high pressure phases of ice.
@en
Ab initio studies on high pressure phases of ice.
@nl
prefLabel
Ab initio studies on high pressure phases of ice.
@en
Ab initio studies on high pressure phases of ice.
@nl
P2093
P2860
P1476
Ab initio studies on high pressure phases of ice.
@en
P2093
P2860
P304
P356
10.1103/PHYSREVLETT.69.462
P407
P577
1992-07-01T00:00:00Z