Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework.
about
Efficient parametrization of complex molecule-surface force fields.Effect of doping and chemical ordering on the optoelectronic properties of complex oxides: Fe2O3-V2O3 solid solutions and hetero-structures.Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.Instilling defect tolerance in new compounds.
P2860
Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
2014年學術文章
@zh-hant
name
Embedded-cluster calculations ...... y-functional theory framework.
@en
Embedded-cluster calculations ...... y-functional theory framework.
@nl
type
label
Embedded-cluster calculations ...... y-functional theory framework.
@en
Embedded-cluster calculations ...... y-functional theory framework.
@nl
prefLabel
Embedded-cluster calculations ...... y-functional theory framework.
@en
Embedded-cluster calculations ...... y-functional theory framework.
@nl
P2093
P2860
P50
P356
P1476
Embedded-cluster calculations ...... y-functional theory framework.
@en
P2093
C Richard A Catlow
Daniel Berger
Paul Sherwood
P2860
P304
P356
10.1063/1.4885816
P407
P577
2014-07-01T00:00:00Z