Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics.
about
Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.Molecular dynamics based enhanced sampling of collective variables with very large time steps.CO2 packing polymorphism under pressure: Mechanism and thermodynamics of the I-III polymorphic transition.Ab initio thermodynamic properties and their uncertainties for crystalline α-methanol.Ab initio prediction of the polymorph phase diagram for crystalline methanol† †Electronic Supplementary Information (ESI) available: Discussion of the experimental uncertainties, additional modeling details, structure overlays, sensitivity analysis,
P2860
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics.
description
2016 nî lūn-bûn
@nan
2016 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2016 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
name
Exploring polymorphism of benz ...... d enhanced molecular dynamics.
@ast
Exploring polymorphism of benz ...... d enhanced molecular dynamics.
@en
type
label
Exploring polymorphism of benz ...... d enhanced molecular dynamics.
@ast
Exploring polymorphism of benz ...... d enhanced molecular dynamics.
@en
prefLabel
Exploring polymorphism of benz ...... d enhanced molecular dynamics.
@ast
Exploring polymorphism of benz ...... d enhanced molecular dynamics.
@en
P2860
P1476
Exploring polymorphism of benz ...... d enhanced molecular dynamics.
@en
P2093
Leslie Vogt
Mark E Tuckerman
P2860
P304
P356
10.1107/S2052520616007873
P577
2016-08-01T00:00:00Z