Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene

Westermann, Till; Brodbeck, Ralf; Rozhenko, Alexander B.; Schoeller, Wolfgang; Manthe, Uwe

Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene

Westermann T, Brodbeck R, Rozhenko AB, Schoeller W, Manthe U (2011)
The Journal of Chemical Physics 135(18): 184102.

Zeitschriftenaufsatz | Veröffentlicht | Englisch

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DOI

https://doi.org/10.1063/1.3658040

Autor*in

Westermann, Till^UniBi; Brodbeck, Ralf; Rozhenko, Alexander B.; Schoeller, Wolfgang^UniBi; Manthe, Uwe^UniBi

Einrichtung

SFB 613 Physik von Einzelmolekülprozessen/mol.Erkennung in organ.Sys.
Fakultät für Chemie

Stichworte

molecule-photon collisions; organic compounds; photodissociation; photoexcitation; potential energy surfaces; vibrational states; quantum theory; HF calculations; ab initio calculations

Erscheinungsjahr

2011

Zeitschriftentitel

The Journal of Chemical Physics

Band

135

Ausgabe

18

Art.-Nr.

184102

ISSN

0021-9606

Page URI

https://pub.uni-bielefeld.de/record/2446989

Zitieren

Westermann T, Brodbeck R, Rozhenko AB, Schoeller W, Manthe U. Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene. The Journal of Chemical Physics. 2011;135(18): 184102.

Westermann, T., Brodbeck, R., Rozhenko, A. B., Schoeller, W., & Manthe, U. (2011). Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene. The Journal of Chemical Physics, 135(18), 184102. doi:10.1063/1.3658040

Westermann, Till, Brodbeck, Ralf, Rozhenko, Alexander B., Schoeller, Wolfgang, and Manthe, Uwe. 2011. “Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene”. The Journal of Chemical Physics 135 (18): 184102.

Westermann, T., Brodbeck, R., Rozhenko, A. B., Schoeller, W., and Manthe, U. (2011). Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene. The Journal of Chemical Physics 135:184102.

Westermann, T., et al., 2011. Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene. The Journal of Chemical Physics, 135(18): 184102.

T. Westermann, et al., “Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene”, The Journal of Chemical Physics, vol. 135, 2011, : 184102.

Westermann, T., Brodbeck, R., Rozhenko, A.B., Schoeller, W., Manthe, U.: Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene. The Journal of Chemical Physics. 135, : 184102 (2011).

Westermann, Till, Brodbeck, Ralf, Rozhenko, Alexander B., Schoeller, Wolfgang, and Manthe, Uwe. “Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH[sub 3]I@resorc[4]arene”. The Journal of Chemical Physics 135.18 (2011): 184102.

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19 Zitationen in Europe PMC

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The role of the transition state in polyatomic reactions: initial state-selected reaction probabilities of the H + CH₄ → H₂ + CH₃ reaction.
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Complex quantum dynamics following photoexcitation
Westermann T (2013)
Bielefeld.

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