Towards a barrier height benchmark set for biologically relevant systems.
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An investigation into the applicability of the semiempirical method PM7 for modeling the catalytic mechanism in the enzyme chymotrypsin.Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods.
P2860
Towards a barrier height benchmark set for biologically relevant systems.
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2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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Towards a barrier height benchmark set for biologically relevant systems.
@en
Towards a barrier height benchmark set for biologically relevant systems.
@nl
type
label
Towards a barrier height benchmark set for biologically relevant systems.
@en
Towards a barrier height benchmark set for biologically relevant systems.
@nl
prefLabel
Towards a barrier height benchmark set for biologically relevant systems.
@en
Towards a barrier height benchmark set for biologically relevant systems.
@nl
P2093
P2860
P356
P1433
P1476
Towards a barrier height benchmark set for biologically relevant systems
@en
P2093
Anders S Christensen
Jimmy C Kromann
P2860
P356
10.7717/PEERJ.1994
P577
2016-05-03T00:00:00Z