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405 related items for PubMed ID: 23231244

  • 1. Quadratic coupling treatment of the Jahn-Teller effect in the triply-degenerate electronic state of CH4(+): can one account for floppiness?
    Mondal T, Varandas AJ.
    J Chem Phys; 2012 Dec 07; 137(21):214320. PubMed ID: 23231244
    [Abstract] [Full Text] [Related]

  • 2. Silane radical cation: a theoretical account on the Jahn-Teller effect at a triple degeneracy.
    Mondal T, Varandas AJ.
    J Phys Chem A; 2013 Sep 12; 117(36):8794-805. PubMed ID: 23927537
    [Abstract] [Full Text] [Related]

  • 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. PubMed ID: 23901786
    [Abstract] [Full Text] [Related]

  • 4. The Jahn-Teller effect in the triply degenerate electronic state of methane radical cation.
    Mondal T, Varandas AJ.
    J Chem Phys; 2011 Nov 07; 135(17):174304. PubMed ID: 22070299
    [Abstract] [Full Text] [Related]

  • 5. 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. PubMed ID: 17300181
    [Abstract] [Full Text] [Related]

  • 6. Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3.
    Mondal P, Opalka D, Poluyanov LV, Domcke W.
    J Chem Phys; 2012 Feb 28; 136(8):084308. PubMed ID: 22380043
    [Abstract] [Full Text] [Related]

  • 7. 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. PubMed ID: 19044826
    [Abstract] [Full Text] [Related]

  • 8. 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. PubMed ID: 22360188
    [Abstract] [Full Text] [Related]

  • 9. 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 21; 127(3):034303. PubMed ID: 17655439
    [Abstract] [Full Text] [Related]

  • 10. Excited electronic states and nonadiabatic effects in contemporary chemical dynamics.
    Mahapatra S.
    Acc Chem Res; 2009 Aug 18; 42(8):1004-15. PubMed ID: 19456094
    [Abstract] [Full Text] [Related]

  • 11. On the higher-order T2 ⊗ (e + t2) Jahn-Teller coupling effects in the photodetachment spectrum of the alanate anion (AlH4-).
    Mondal T.
    Phys Chem Chem Phys; 2018 Apr 04; 20(14):9401-9410. PubMed ID: 29565068
    [Abstract] [Full Text] [Related]

  • 12. DFT-based studies on the Jahn-Teller effect in 3d hexacyanometalates with orbitally degenerate ground states.
    Atanasov M, Comba P, Daul CA, Hauser A.
    J Phys Chem A; 2007 Sep 20; 111(37):9145-63. PubMed ID: 17718456
    [Abstract] [Full Text] [Related]

  • 13. 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. PubMed ID: 23822246
    [Abstract] [Full Text] [Related]

  • 14. The Jahn-Teller and pseudo-Jahn-Teller effects in the anion photoelectron spectroscopy of B3 cluster.
    Venkatesan TS, Deepika K, Mahapatra S.
    J Comput Chem; 2006 Jul 30; 27(10):1093-100. PubMed ID: 16691569
    [Abstract] [Full Text] [Related]

  • 15. 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 30; 1(6):1162-71. PubMed ID: 26631659
    [Abstract] [Full Text] [Related]

  • 16. Higher order (A+E) multiply sign in circle e pseudo-Jahn-Teller coupling.
    Eisfeld W, Viel A.
    J Chem Phys; 2005 May 22; 122(20):204317. PubMed ID: 15945734
    [Abstract] [Full Text] [Related]

  • 17. Origin of distinct structural symmetry of the neopentane cation in the ground electronic state compared to the methane cation.
    Mondal T.
    Phys Chem Chem Phys; 2016 Apr 21; 18(15):10459-72. PubMed ID: 27030072
    [Abstract] [Full Text] [Related]

  • 18. High-order expansion of T(2)xt(2) Jahn-Teller potential-energy surfaces in tetrahedral molecules.
    Opalka D, Domcke W.
    J Chem Phys; 2010 Apr 21; 132(15):154108. PubMed ID: 20423169
    [Abstract] [Full Text] [Related]

  • 19. Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation.
    Viel A, Eisfeld W, Neumann S, Domcke W, Manthe U.
    J Chem Phys; 2006 Jun 07; 124(21):214306. PubMed ID: 16774406
    [Abstract] [Full Text] [Related]

  • 20. Jahn-Teller, pseudo-Jahn-Teller, and spin-orbit coupling Hamiltonian of a d electron in an octahedral environment.
    Poluyanov LV, Domcke W.
    J Chem Phys; 2012 Sep 21; 137(11):114101. PubMed ID: 22998243
    [Abstract] [Full Text] [Related]

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