328 related articles for article (PubMed ID: 17328603)
1. Ab initio simulation of the vibrationally resolved photoelectron spectrum of Si3-.
Garcia-Fernandez P; Boggs JE; Stanton JF
J Chem Phys; 2007 Feb; 126(7):074305. PubMed ID: 17328603
[TBL] [Abstract][Full Text] [Related]
2. Franck-Condon simulation of the photoelectron spectrum of AsF2 and the photodetachment spectrum of AsF2(-) using ab initio calculations: ionization energy and electron affinity of AsF2.
Mok DK; Lee EP; Chau FT; Dyke JM
Phys Chem Chem Phys; 2010 Aug; 12(31):9075-87. PubMed ID: 20532314
[TBL] [Abstract][Full Text] [Related]
3. Ab initio calculations on SCl2 and low-lying cationic states of SCl2+: Franck-Condon simulation of the UV photoelectron spectrum of SCl2.
Mok DK; Chau FT; Lee EP; Dyke JM
J Chem Phys; 2006 Sep; 125(10):104303. PubMed ID: 16999522
[TBL] [Abstract][Full Text] [Related]
4. Ab initio calculations on the X (2)B1 and A (2)A1 states of AsH2, and Franck-Condon simulation, including anharmonicity, of the A(0,0,0)-X single vibronic level emission spectrum of AsH2.
Lee EP; Mok DK; Chau FT; Dyke JM
J Chem Phys; 2010 Jun; 132(23):234309. PubMed ID: 20572707
[TBL] [Abstract][Full Text] [Related]
5. Vibronic interactions in the photodetachment spectroscopy of phenide anion.
Sivaranjana Reddy V; Venkatesan TS; Mahapatra S
J Chem Phys; 2007 Feb; 126(7):074306. PubMed ID: 17328604
[TBL] [Abstract][Full Text] [Related]
6. Ab initio calculations and Franck-Condon simulation of the absorption spectra of GeCl2 including anharmonicity.
Mok DK; Chau FT; Lee EP; Dyke JM
Chemphyschem; 2005 Apr; 6(4):719-31. PubMed ID: 15881589
[TBL] [Abstract][Full Text] [Related]
7. Ab initio calculations on SF2 and its low-lying cationic states: anharmonic Franck-Condon simulation of the UV photoelectron spectrum of SF2.
Lee EP; Mok DK; Chau FT; Dyke JM
J Chem Phys; 2006 Sep; 125(10):104304. PubMed ID: 16999523
[TBL] [Abstract][Full Text] [Related]
8. Diradicals, antiaromaticity, and the pseudo-Jahn-Teller effect: electronic and rovibronic structures of the cyclopentadienyl cation.
Wörner HJ; Merkt F
J Chem Phys; 2007 Jul; 127(3):034303. PubMed ID: 17655439
[TBL] [Abstract][Full Text] [Related]
9. A combined ab initio/Franck-Condon study of the A-X single-vibronic-level emission spectrum of CCl2 and the photodetachment spectrum of CCl2 -.
Dyke JM; Lee EP; Mok DK; Chau FT
Chemphyschem; 2005 Oct; 6(10):2046-59. PubMed ID: 16208746
[TBL] [Abstract][Full Text] [Related]
10. A combined ab initio and Franck-Condon factor simulation study on the photodetachment spectrum of ScO2(-).
Lee EP; Mok DK; Chau FT; Dyke JM
J Comput Chem; 2009 Feb; 30(3):337-45. PubMed ID: 18629874
[TBL] [Abstract][Full Text] [Related]
11. A study of the ground and excited states of Al3 and Al3(-). II. Computational analysis of the 488 nm anion photoelectron spectrum and a reconsideration of the Al3 bond dissociation energy.
Miller SR; Schultz NE; Truhlar DG; Leopold DG
J Chem Phys; 2009 Jan; 130(2):024304. PubMed ID: 19154025
[TBL] [Abstract][Full Text] [Related]
12. CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule.
Barletta P; Shirin SV; Zobov NF; Polyansky OL; Tennyson J; Valeev EF; Császár AG
J Chem Phys; 2006 Nov; 125(20):204307. PubMed ID: 17144700
[TBL] [Abstract][Full Text] [Related]
13. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
Czakó G; Braams BJ; Bowman JM
J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
[TBL] [Abstract][Full Text] [Related]
14. Structures of Mo2Oy- and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations.
Yoder BL; Maze JT; Raghavachari K; Jarrold CC
J Chem Phys; 2005 Mar; 122(9):094313. PubMed ID: 15836134
[TBL] [Abstract][Full Text] [Related]
15. Determination of the electron affinity of the acetyloxyl radical (CH3COO) by low-temperature anion photoelectron spectroscopy and ab initio calculations.
Wang XB; Woo HK; Wang LS; Minofar B; Jungwirth P
J Phys Chem A; 2006 Apr; 110(15):5047-50. PubMed ID: 16610823
[TBL] [Abstract][Full Text] [Related]
16. A combined ab initio and Franck-Condon factor simulation study on the photodetachment spectrum of HfO2-.
Mok DK; Lee EP; Chau FT; Dyke JM
Phys Chem Chem Phys; 2008 Dec; 10(48):7270-7. PubMed ID: 19060972
[TBL] [Abstract][Full Text] [Related]
17. Study of ArO- and ArO via slow photoelectron velocity-map imaging spectroscopy and Ab initio calculations.
Garand E; Buchachenko AA; Yacovitch TI; Szcześniak MM; Chałasiński G; Neumark DM
J Phys Chem A; 2009 Apr; 113(16):4631-8. PubMed ID: 19371122
[TBL] [Abstract][Full Text] [Related]
18. Photodetachment spectrum of OHF-: three-dimensional study of the heavy-light-heavy resonances.
González-Sánchez L; Gómez-Carrasco S; Aguado A; Paniagua M; Hernández ML; Alvariño JM; Roncero O
J Chem Phys; 2004 Jul; 121(1):309-20. PubMed ID: 15260549
[TBL] [Abstract][Full Text] [Related]
19. A new proposal for the ground state of the FeO- cluster in the gas phase and for the assignment of its photoelectron spectra.
Hendrickx MF; Anam KR
J Phys Chem A; 2009 Jul; 113(30):8746-53. PubMed ID: 19719319
[TBL] [Abstract][Full Text] [Related]
20. Nonadiabatic effects in the photoelectron spectrum of the pyrazolide-d3 anion: three-state interactions in the pyrazolyl-d3 radical.
Ichino T; Gianola AJ; Lineberger WC; Stanton JF
J Chem Phys; 2006 Aug; 125(8):084312. PubMed ID: 16965017
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
