Towards a barrier height benchmark set for biologically relevant systems

Jimmy Charnley Kromann; Anders S. Christensen; Qiang Cui; Jan Halborg Jensen

doi:10.7717/peerj.1994

Towards a barrier height benchmark set for biologically relevant systems

Jimmy Charnley Kromann, Anders S. Christensen, Qiang Cui, Jan Halborg Jensen

Department of Chemistry

10 Citations (Scopus)

79 Downloads (Pure)

Original language	English
Article number	e1994
Journal	PeerJ
Volume	4
Number of pages	17
ISSN	2167-8359
DOIs	https://doi.org/10.7717/peerj.1994
Publication status	Published - 2016

Keywords

Enzyme mechanism
Semiempirical methods
Benchmarks

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Kromann_2016_Towards_a_barrierFinal published version, 3.21 MBLicence: CC BY

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title = "Towards a barrier height benchmark set for biologically relevant systems",

keywords = "Enzyme mechanism, Semiempirical methods, Benchmarks",

author = "Kromann, {Jimmy Charnley} and Christensen, {Anders S.} and Qiang Cui and Jensen, {Jan Halborg}",

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volume = "4",

journal = "PeerJ",

issn = "2167-8359",

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T1 - Towards a barrier height benchmark set for biologically relevant systems

AU - Kromann, Jimmy Charnley

AU - Christensen, Anders S.

AU - Cui, Qiang

AU - Jensen, Jan Halborg

PY - 2016

Y1 - 2016

KW - Enzyme mechanism

KW - Semiempirical methods

KW - Benchmarks

U2 - 10.7717/peerj.1994

DO - 10.7717/peerj.1994

M3 - Journal article

C2 - 27168993

SN - 2167-8359

VL - 4

JO - PeerJ

JF - PeerJ

M1 - e1994

ER -

Towards a barrier height benchmark set for biologically relevant systems

Keywords

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Cite this