- 作者Moser, Gabriele; Serpico, Sebastiano; Vernazza, Gianni
- 卷第4卷
- 期第2期
- 文件大小455.88KB
- 发表时间2007
- DOI10.1109/lgrs.2007.890549
- 页码278-282
Ab initio calculations on the X̃ [sup 1]A[sup ʹ] and à [sup 1]A[sup ʺ] states of HPO and Franck-Condon simulation of the single vibronic level emission spectra of HPO and DPOLee, Edmond P. F.; Mok, Daniel K. W.; Chau, Foo-Tim; Dyke, John M. · The Journal of Chemical Physics · 2007
Quantum scattering calculations of the O([sup 1]D)+HCl reaction using a new ab initio potential and extensions of J-shiftingBittererová, Martina; Bowman, Joel M.; Peterson, Kirk · The Journal of Chemical Physics · 2000
Rovibrational dynamics of the strontium molecule in the A[sup 1]Σ[sub u][sup +], c3Πu, and a[sup 3]Σ[sub u][sup +] manifold from state-of-the-art ab initio calculationsSkomorowski, Wojciech; Pawłowski, Filip; Koch, Christiane P.; Moszynski, Robert · The Journal of Chemical Physics · 2012
Ab initio calculations on low-lying electronic states of TeO[sub 2] and Franck-Condon simulation of the (1)[sup 1]B[sub 2]←X̃ [sup 1]A[sub 1] TeO[sub 2] absorption spectrum including anharmonicityLee, Edmond P. F.; Mok, Daniel K. W.; Chau, Foo-tim; Dyke, John M. · The Journal of Chemical Physics · 2004
Comparative studies of the lowest singlet states of (O[sub 2])[sub 2] including ab initio calculations of the four excited states dissociating into O[sub 2]([sup 1]Δ[sub g])+O[sub 2]([sup 1]Δ[sub g])Bussery-Honvault, B.; Veyret, V. · The Journal of Chemical Physics · 1998
Ab initio configuration interaction calculations of the predissociation of rovibrational levels of the C [sup 3]Π[sub g] and d [sup 1]Π[sub g] 3sσ Rydberg states of the oxygen moleculeLi, Yan; Petsalakis, Ioannis D.; Liebermann, Heinz-Peter; Hirsch, Gerhard; Buenker, Robert J. · The Journal of Chemical Physics · 1997
Relativistic Jahn–Teller effects in the quartet states of K[sub 3] and Rb[sub 3]: A vibronic analysis of the 2 [sup 4]E[sup ʹ]←1 [sup 4]A[sub 2][sup ʹ] electronic transitions based on ab initio calculationsHauser, Andreas W.; Auböck, Gerald; Callegari, Carlo; Ernst, Wolfgang E. · The Journal of Chemical Physics · 2010
The X̃ [sup 2]B[sub 1], [sup 2]B[sub 2], [sup 2]A[sub 1], and [sup 2]A[sub 2] states of oxygen difluoride cation (F[sub 2]O[sup +]): High-level ab initio calculations and simulation of the ultraviolet photoelectron spectrum of F[sub 2]OWang, De-Chao; Chau, Foo-Tim; Mok, Daniel Kam-Wah; Lee, Edmond P. F.; Beeching, Levi; Ogden, J. Steven; Dyke, John M. · The Journal of Chemical Physics · 2001
Chiroptical Spectroscopy of SurfactantsPolavarapu, Prasad L.; Vijay, R. · The Journal of Physical Chemistry A · 2012
Vibrational Analysis of UreaKeuleers, R.; Desseyn, H. O.; Rousseau, B.; Van Alsenoy, C. · The Journal of Physical Chemistry A · 1999
Molecular Structure of ThioureaPuzzarini, Cristina · The Journal of Physical Chemistry A · 2012
Asphaltene Molecular Size and StructureGroenzin, Henning; Mullins, Oliver C. · The Journal of Physical Chemistry A · 1999
Blue-Shifting Hydrogen BondsHermansson, Kersti · The Journal of Physical Chemistry A · 2002
Electronegativity: Chemical Hardness IReed, James L. · The Journal of Physical Chemistry A · 1997
Electronegativity: Chemical Hardness IIReed, James L. · The Journal of Physical Chemistry A · 1997
Demystifying an Electrochemical OscillatorRudolph, Manfred; Hromadova, Magdalena; de Levie, Robert · The Journal of Physical Chemistry A · 1998