A multi-mode vibronic coupling Hamiltonian which includes coupling terms up to second order in the nuclear displacements is used to study theoretically the vibronic interactions between the ground and tirst excited electronic states of the ozone cation, 0:. The relevant coupling constants rely on pr
β¦ LIBER β¦
Ab initio study of vibronic coupling in the ozone radical cation
β Scribed by Riccardo Tarroni; Stuart Carter
- Book ID
- 113554923
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 438 KB
- Volume
- 511
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Vibronic coupling effects in the ozone c
β
H. MΓΌller; H. KΓΆppel; L.S. Cederbaum; T. Schmelz; G. Chambaud; P. Rosmus
π
Article
π
1992
π
Elsevier Science
π
English
β 737 KB
Ab Initio Studies of the Radical Cation
β
Haberl, Udo; Wiest, Olaf; Steckhan, Eberhard
π
Article
π
1999
π
American Chemical Society
π
English
β 104 KB
Ab initio study of molecular structure a
β
Yuichi Inadomi; Kenji Morihashi; Osamu Kikuchi
π
Article
π
1998
π
Elsevier Science
π
English
β 481 KB
Ab initio CI study of the emission spect
β
H. Cardy; D. Liotard; A. Dargelos; F. Marinelli; M. Roche
π
Article
π
1988
π
Elsevier Science
π
English
β 912 KB
Cyclobutadiene radical cation. An ab ini
β
Martina RoeselovΓ‘; Thomas Bally; Pavel Jungwirth; Petr ΔΓ‘rsky
π
Article
π
1995
π
Elsevier Science
π
English
β 706 KB
The Jahn-Teller potential energy surface of the cyclobutadiene radical cation is reinvestigated at the CCSD(T)/TZP//RMP2/6-311G(2d, p) level. It is found that out-of-plane deformations come into play as one moves away from the Dab geometry. The relaxed radical cation has two potential energy minima,
Excited states in polyene radical cation
β
M.P. FΓΌlscher; S. Matzinger; T. Bally
π
Article
π
1995
π
Elsevier Science
π
English
β 1000 KB