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Items: 1 to 20 of 165

1.

Theoretical explanation of the low-lying ν(6) vibrational fundamental of the FSO3 radical by the linear vibronic coupling approach.

Uhlíková T, Urban Š.

J Chem Phys. 2013 Jun 21;138(23):234307. doi: 10.1063/1.4810800.

PMID:
23802960
2.

Theoretical study of the first electronic state of the FCO2 radical.

Uhlíková T, Urban Š.

J Phys Chem A. 2014 Aug 28;118(34):6893-9. doi: 10.1021/jp5046172. Epub 2014 Aug 15.

PMID:
25101487
3.

Deviations from Born-Oppenheimer theory in structural chemistry: Jahn-Teller, pseudo Jahn-Teller, and hidden pseudo Jahn-Teller effects in C3H3 and C3H3(-).

Kayi H, Garcia-Fernandez P, Bersuker IB, Boggs JE.

J Phys Chem A. 2013 Sep 12;117(36):8671-9. doi: 10.1021/jp403034c. Epub 2013 Aug 6.

PMID:
23901786
4.

EPR and IR spectra of the FSO3 radical revisited: Strong vibronic interactions in the 2A2 electronic ground state.

Beckers H, Willner H, Grote D, Sander W.

J Chem Phys. 2008 Feb 28;128(8):084501. doi: 10.1063/1.2831511.

PMID:
18315055
5.

Jahn-Teller effect in CH2DO∕CHD2O(X̃(2)E): vibronic coupling of all vibrational modes.

Shao Z, Mo Y.

J Chem Phys. 2013 Jun 28;138(24):244309. doi: 10.1063/1.4811517.

PMID:
23822246
6.

Ab Initio Study of Spin-Vibronic Dynamics in the Ground X̃(2)E and Excited Ã(2)A1 Electronic States of CH3S(•).

Marenich AV, Boggs JE.

J Chem Theory Comput. 2005 Nov;1(6):1162-71. doi: 10.1021/ct0501452.

PMID:
26631659
7.

The Jahn-Teller and pseudo-Jahn-Teller effects in the low-lying electronic states of 1,3,5-trifluorobenzene radical cation.

Mondal T, Mahapatra S.

Phys Chem Chem Phys. 2009 Dec 14;11(46):10867-80. doi: 10.1039/b913342a. Epub 2009 Oct 1.

PMID:
19924321
9.
11.

Theoretical Study of the Jahn-Teller effect in CH3CN+ (X2E) and CD3CN+ (X2E): multimode spin-vibronic energy level calculations.

Zhang S, Mo Y.

J Phys Chem A. 2009 Oct 15;113(41):10947-54. doi: 10.1021/jp906557n.

PMID:
19761196
12.

Tunneling splittings in vibronic energy levels of CH3F+ (X2E) studied by high resolution photoelectron spectroscopy and ab initio calculation.

Gao S, Dai Z, Sun W, Li H, Wang J, Mo Y.

J Chem Phys. 2013 Aug 14;139(6):064302. doi: 10.1063/1.4817201. Erratum in: J Chem Phys. 2013 Sep 14;139(10):109901.

PMID:
23947850
13.
14.

Multimode Jahn-Teller and pseudo-Jahn-Teller interactions in the cyclopropane radical cation: complex vibronic spectra and nonradiative decay dynamics.

Venkatesan TS, Mahapatra S, Meyer HD, Köppel H, Cederbaum LS.

J Phys Chem A. 2007 Mar 15;111(10):1746-61. Epub 2007 Feb 15.

PMID:
17300181
15.

The electronic spectrum of the fluoroborane free radical. I. Theoretical calculation of the vibronic energy levels of the ground and first excited electronic states.

Sunahori FX, Clouthier DJ, Carter S, Tarroni R.

J Chem Phys. 2009 Apr 28;130(16):164309. doi: 10.1063/1.3122008.

PMID:
19405581
16.

The vibronic level structure of the cyclopentadienyl radical.

Ichino T, Wren SW, Vogelhuber KM, Gianola AJ, Lineberger WC, Stanton JF.

J Chem Phys. 2008 Aug 28;129(8):084310. doi: 10.1063/1.2973631.

PMID:
19044826
17.

Excited electronic states and nonadiabatic effects in contemporary chemical dynamics.

Mahapatra S.

Acc Chem Res. 2009 Aug 18;42(8):1004-15. doi: 10.1021/ar800186s.

PMID:
19456094
18.

The Jahn-Teller effect in CH3Cl+(X̃2E): a combined high-resolution experimental measurement and ab initio theoretical study.

Shao Z, Li H, Zhang S, Li J, Dai Z, Mo Y, Bae YJ, Kim MS.

J Chem Phys. 2012 Feb 14;136(6):064308. doi: 10.1063/1.3679655.

PMID:
22360188
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