Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces.
about
Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation.Implementation and performance of the artificial force induced reaction method in the GRRM17 program.An autocatalytic cycle in autoxidation of triethylborane.Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems.Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition.
P2860
Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年学术文章
@wuu
2016年学术文章
@zh
2016年学术文章
@zh-cn
2016年学术文章
@zh-hans
2016年学术文章
@zh-my
2016年学术文章
@zh-sg
2016年學術文章
@yue
2016年學術文章
@zh-hant
name
Artificial Force Induced React ...... cal Potential Energy Surfaces.
@en
Artificial Force Induced Reaction
@nl
type
label
Artificial Force Induced React ...... cal Potential Energy Surfaces.
@en
Artificial Force Induced Reaction
@nl
prefLabel
Artificial Force Induced React ...... cal Potential Energy Surfaces.
@en
Artificial Force Induced Reaction
@nl
P2093
P2860
P356
P1433
P1476
Artificial Force Induced React ...... ical Potential Energy Surfaces
@en
P2093
Keiji Morokuma
Makito Takagi
Tetsuya Taketsugu
P2860
P304
P356
10.1002/TCR.201600043
P577
2016-06-03T00:00:00Z