Conical intersections in solution: formulation, algorithm, and implementation with combined quantum mechanics/molecular mechanics method
about
Hybrid dynamics simulation engine for metalloproteins.Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method.Optimizing minimum free-energy crossing points in solution: linear-response free energy/spin-flip density functional theory approach.Generalized trajectory surface-hopping method for internal conversion and intersystem crossing.
P2860
Conical intersections in solution: formulation, algorithm, and implementation with combined quantum mechanics/molecular mechanics method
description
2011 nî lūn-bûn
@nan
2011 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Conical intersections in solut ...... ics/molecular mechanics method
@ast
Conical intersections in solut ...... ics/molecular mechanics method
@en
type
label
Conical intersections in solut ...... ics/molecular mechanics method
@ast
Conical intersections in solut ...... ics/molecular mechanics method
@en
prefLabel
Conical intersections in solut ...... ics/molecular mechanics method
@ast
Conical intersections in solut ...... ics/molecular mechanics method
@en
P2860
P356
P1476
Conical intersections in solut ...... ics/molecular mechanics method
@en
P2093
Weitao Yang
P2860
P304
P356
10.1063/1.3593390
P407
P577
2011-05-01T00:00:00Z