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

Department of Chemistry

45 Citations (Scopus)

73 Downloads (Pure)

Original language	English
Journal	The Journal of Physical Chemistry Part A
Volume	120
Issue number	51
Pages (from-to)	10072-10087
Number of pages	16
ISSN	1089-5639
DOIs	https://doi.org/10.1021/acs.jpca.6b09370
Publication status	Published - 29 Dec 2016

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Cost-Effective Implementation of Multiconformer Transition StateFinal published version, 1.93 MB

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Cost-effective implementation of multiconformer transition state theory for peroxy radical hydrogen shift reactions. / Møller, Kristian Holten; Otkjær, Rasmus Vanglo; Hyttinen, Noora et al.

In: The Journal of Physical Chemistry Part A, Vol. 120, No. 51, 29.12.2016, p. 10072-10087.

Research output: Contribution to journal › Journal article › Research › peer-review

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

IS - 51

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

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