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.

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DOI
Zeitschriftenaufsatz | Veröffentlicht | Englisch
Autor
; ; ; ;
Einrichtung
Fakultät für Chemie
SFB 613 Physik von Einzelmolekülprozessen/mol.Erkennung in organ.Sys.
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
Zeitschriftennummer
18
Seite
184102
ISSN
0021-9606
PUB-ID

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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, 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), p 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, pp. 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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80 References

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The state averaged multiconfigurational time-dependent Hartree approach: vibrational state and reaction rate calculations.
Manthe U., J Chem Phys 128(6), 2008
PMID: 18282029

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Complex quantum dynamics following photoexcitation
Westermann T (2013)
Bielefeld.

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