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123 related items for PubMed ID: 34965116

  • 1. Unified Description of the Jahn-Teller Effect in Molecules with Only Cs Symmetry: Cyclohexoxy in Its Full 48-Dimensional Internal Coordinates.
    Shen Y, Yarkony DR.
    J Phys Chem A; 2022 Jan 13; 126(1):61-67. PubMed ID: 34965116
    [Abstract] [Full Text] [Related]

  • 2. Conical intersections: A perspective on the computation of spectroscopic Jahn-Teller parameters and the degenerate 'intersection space'.
    Paterson MJ, Bearpark MJ, Robb MA, Blancafort L, Worth GA.
    Phys Chem Chem Phys; 2005 May 21; 7(10):2100-15. PubMed ID: 19791401
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. Towards a highly efficient theoretical treatment of Jahn-Teller effects in molecular spectra: the 1 2A and 2 2A electronic states of the ethoxy radical.
    Young RA, Yarkony DR.
    J Chem Phys; 2006 Dec 21; 125(23):234301. PubMed ID: 17190552
    [Abstract] [Full Text] [Related]

  • 5. On the electronic structure of the low lying electronic states of vanadium trioxide.
    Lee EM, Zhu X, Yarkony DR.
    J Chem Phys; 2013 Jul 28; 139(4):044303. PubMed ID: 23901976
    [Abstract] [Full Text] [Related]

  • 6. Unified one-electron Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in tetrahedral and octahedral symmetries.
    Pradhan E, Yao G, Yang Z, Zeng T.
    J Chem Phys; 2022 Aug 14; 157(6):064104. PubMed ID: 35963721
    [Abstract] [Full Text] [Related]

  • 7. 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]

  • 8. Strong static and dynamic Jahn-Teller and pseudo-Jahn-Teller effects in niobium tetrafluoride.
    Vasilyev OA, Nandipati KR, Navarkin IS, Solomonik VG, Domcke W.
    J Chem Phys; 2021 Mar 28; 154(12):124305. PubMed ID: 33810698
    [Abstract] [Full Text] [Related]

  • 9. The photoelectron spectrum of the isopropoxide anion: nonadiabatic effects due to conical intersections and the spin-orbit interaction.
    Dillon JJ, Yarkony DR.
    J Chem Phys; 2009 Apr 21; 130(15):154312. PubMed ID: 19388751
    [Abstract] [Full Text] [Related]

  • 10. The Unified Hamiltonian Formalism of Spin-Orbit Jahn-Teller and Pseudo-Jahn-Teller Problems in All Axial Symmetries.
    Pradhan E, Zeng T.
    J Chem Theory Comput; 2023 Nov 14; 19(21):7776-7786. PubMed ID: 37847554
    [Abstract] [Full Text] [Related]

  • 11. Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems.
    Domcke W, Opalka D, Poluyanov LV.
    J Chem Phys; 2016 Mar 28; 144(12):124101. PubMed ID: 27036421
    [Abstract] [Full Text] [Related]

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  • 13. Vibronic interaction in CO3- photo-detachment: Jahn-Teller effects beyond structural distortion and general formalisms for vibronic Hamiltonians in trigonal symmetries.
    Seidu I, Goel P, Wang XG, Chen B, Wang XB, Zeng T.
    Phys Chem Chem Phys; 2019 Apr 24; 21(17):8679-8690. PubMed ID: 30977487
    [Abstract] [Full Text] [Related]

  • 14. On the simulation of photoelectron spectra in molecules with conical intersections and spin-orbit coupling: the vibronic spectrum of CH3S.
    Schuurman MS, Weinberg DE, Yarkony DR.
    J Chem Phys; 2007 Sep 14; 127(10):104309. PubMed ID: 17867749
    [Abstract] [Full Text] [Related]

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  • 16. Permutation invariant polynomial neural network based diabatic ansatz for the (E + A) × (e + a) Jahn-Teller and Pseudo-Jahn-Teller systems.
    Guan Y, Yarkony DR, Zhang DH.
    J Chem Phys; 2022 Jul 07; 157(1):014110. PubMed ID: 35803819
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  • 18. Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in trigonal and tetragonal symmetries.
    Wang K, Zeng T.
    Phys Chem Chem Phys; 2019 Sep 21; 21(35):18939-18957. PubMed ID: 31461091
    [Abstract] [Full Text] [Related]

  • 19. 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]

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