A first principles study on the structure of ice-VI: static distortion, molecular geometry, and proton ordering.
about
Ice XV: A New Thermodynamically Stable Phase of IceFirst principles molecular dynamics study of filled ice hydrogen hydrate.Coping with our cold planetPartially ordered state of ice XV.Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition.The polymorphism of ice: five unresolved questions.Evidence of a structural defect in Ice VII and the side-chain-dependent response of small model peptides to increased pressure.Mapping uncharted territory in ice from zeolite networks to ice structures.Experiments indicating a second hydrogen ordered phase of ice VI.DFT-assisted interpretation of the Raman spectra of hydrogen-ordered ice XVWhat is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O) n (n = 1–10)
P2860
Q27447179-697807F3-0516-47A0-87FD-5F8DE7313D1BQ30560381-696329D7-C59E-49F1-BA86-3D7CBF25A733Q36497739-FD04DD8B-89B6-48BD-B91F-A114076DF8D7Q37061636-F9FB43B7-1570-46A8-9481-115F9AC19DFDQ39138792-FAC6ECAD-BF86-4F73-9CCF-72FC15CB4CBAQ42617616-A5972A57-292A-4F7A-B115-9B9C1ADC3C94Q43074019-B751F9CC-AEF4-4198-891B-B07289B670BBQ54960345-53B03400-1C02-42F4-B667-B86CE0186DE6Q55364108-89D72CA4-D0A9-48CB-BBF3-346877674610Q56331143-12E44ACA-875A-4541-9258-917EE44E9127Q58485312-84070138-DB8A-4E76-945D-E2B77BE362F7
P2860
A first principles study on the structure of ice-VI: static distortion, molecular geometry, and proton ordering.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
A first principles study on th ...... geometry, and proton ordering.
@en
A first principles study on th ...... geometry, and proton ordering.
@nl
type
label
A first principles study on th ...... geometry, and proton ordering.
@en
A first principles study on th ...... geometry, and proton ordering.
@nl
prefLabel
A first principles study on th ...... geometry, and proton ordering.
@en
A first principles study on th ...... geometry, and proton ordering.
@nl
P356
P1476
A first principles study on th ...... geometry, and proton ordering.
@en
P2093
Jer-Lai Kuo
Werner F Kuhs
P304
P356
10.1021/JP055260N
P407
P577
2006-03-01T00:00:00Z