Cost-effective implementation of multiconformer transition state theory for peroxy radical hydrogen shift reactions

Kristian Holten Møller; Rasmus Vanglo Otkjær; Noora Hyttinen; Theo Kurten; Henrik Grum Kjærgaard

doi:10.1021/acs.jpca.6b09370

Cost-effective implementation of multiconformer transition state theory for peroxy radical hydrogen shift reactions

Kristian Holten Møller, Rasmus Vanglo Otkjær, Noora Hyttinen, Theo Kurten, Henrik Grum Kjærgaard

Kemisk Institut

45 Citationer (Scopus)

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Originalsprog	Engelsk
Tidsskrift	The Journal of Physical Chemistry Part A
Vol/bind	120
Udgave nummer	51
Sider (fra-til)	10072-10087
Antal sider	16
ISSN	1089-5639
DOI	https://doi.org/10.1021/acs.jpca.6b09370
Status	Udgivet - 29 dec. 2016

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10.1021/acs.jpca.6b09370

Cost-Effective Implementation of Multiconformer Transition StateForlagets udgivne version, 1,93 MB

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author = "M{\o}ller, {Kristian Holten} and Otkj{\ae}r, {Rasmus Vanglo} and Noora Hyttinen and Theo Kurten and Kj{\ae}rgaard, {Henrik Grum}",

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T1 - Cost-effective implementation of multiconformer transition state theory for peroxy radical hydrogen shift reactions

AU - Møller, Kristian Holten

AU - Otkjær, Rasmus Vanglo

AU - Hyttinen, Noora

AU - Kurten, Theo

AU - Kjærgaard, Henrik Grum

PY - 2016/12/29

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DO - 10.1021/acs.jpca.6b09370

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SN - 1089-5639

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SP - 10072

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JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

IS - 51

ER -

Cost-effective implementation of multiconformer transition state theory for peroxy radical hydrogen shift reactions

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