Methods for finding transition states on reduced potential energy surfaces.
about
Isolated catalyst sites on amorphous supports: a systematic algorithm for understanding heterogeneities in structure and reactivity.Efficient exploration of reaction paths via a freezing string method.Growing string method with interpolation and optimization in internal coordinates: method and examples.Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium.Reliable and efficient reaction path and transition state finding for surface reactions with the growing string method.Using bonding to guide transition state optimization.A constrained reduced-dimensionality search algorithm to follow chemical reactions on potential energy surfaces.
P2860
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P2860
Methods for finding transition states on reduced potential energy surfaces.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
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2010年论文
@zh-cn
name
Methods for finding transition states on reduced potential energy surfaces.
@en
Methods for finding transition states on reduced potential energy surfaces.
@nl
type
label
Methods for finding transition states on reduced potential energy surfaces.
@en
Methods for finding transition states on reduced potential energy surfaces.
@nl
prefLabel
Methods for finding transition states on reduced potential energy surfaces.
@en
Methods for finding transition states on reduced potential energy surfaces.
@nl
P2860
P356
P1476
Methods for finding transition states on reduced potential energy surfaces.
@en
P2093
Steven K Burger
P2860
P304
P356
10.1063/1.3445772
P407
P577
2010-06-01T00:00:00Z