Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method.
about
Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces.A general spin-complete spin-flip configuration interaction method.Optimizing minimum free-energy crossing points in solution: linear-response free energy/spin-flip density functional theory approach.Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory.Conical Intersections Leading to Chemical Reactions in the Gas and Liquid Phases
P2860
Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh-hant
name
Optimizing conical intersectio ...... ive fragment potential method.
@en
Optimizing conical intersectio ...... ive fragment potential method.
@nl
type
label
Optimizing conical intersectio ...... ive fragment potential method.
@en
Optimizing conical intersectio ...... ive fragment potential method.
@nl
prefLabel
Optimizing conical intersectio ...... ive fragment potential method.
@en
Optimizing conical intersectio ...... ive fragment potential method.
@nl
P2860
P356
P1476
Optimizing conical intersectio ...... ive fragment potential method.
@en
P2093
Mark S Gordon
P2860
P304
P356
10.1063/1.4734314
P407
P577
2012-07-01T00:00:00Z