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177 related items for PubMed ID: 23320674

  • 1. A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections.
    Csehi A, Bende A, Halász GJ, Vibók Á, Das A, Mukhopadhyay D, Baer M.
    J Chem Phys; 2013 Jan 14; 138(2):024113. PubMed ID: 23320674
    [Abstract] [Full Text] [Related]

  • 2. Renner-Teller intersections along the collinear axes of polyatomic molecules: H2CN as a case study.
    Das A, Mukhopadhyay D, Adhikari S, Baer M.
    J Chem Phys; 2010 Aug 28; 133(8):084107. PubMed ID: 20815560
    [Abstract] [Full Text] [Related]

  • 3. Jahn-Teller intersections induced by introduction of bending in linear polyatomics: study with HCNH, a selected molecular system.
    Das A, Mukhopadhyay D.
    J Phys Chem A; 2012 Feb 23; 116(7):1774-85. PubMed ID: 22313095
    [Abstract] [Full Text] [Related]

  • 4. Renner-Teller/Jahn-Teller intersections along the collinear axes of polyatomic molecules: C2H2 + as a case study.
    Halász GJ, Vibók A, Hoffman DK, Kouri DJ, Baer M.
    J Chem Phys; 2007 Apr 21; 126(15):154309. PubMed ID: 17461628
    [Abstract] [Full Text] [Related]

  • 5. Renner-Teller nonadiabatic coupling terms: An ab-initio study of the HNH molecule.
    Halász GJ, Vibók A, Baer R, Baer M.
    J Chem Phys; 2006 Feb 28; 124(8):081106. PubMed ID: 16512700
    [Abstract] [Full Text] [Related]

  • 6. Dressed adiabatic and diabatic potentials for the Renner-Teller/Jahn-Teller F + H2 system.
    Csehi A, Bende A, Halász GJ, Vibók Á, Das A, Mukhopadhyay D, Mukherjee S, Adhikari S, Baer M.
    J Phys Chem A; 2013 Sep 12; 117(36):8497-505. PubMed ID: 23323799
    [Abstract] [Full Text] [Related]

  • 7. Study of Topological Effects Concerning the Lowest A″ and the Three A' States for the CO2(+) Ion.
    Dhindhwal V, Baer M, Sathyamurthy N.
    J Phys Chem A; 2016 May 19; 120(19):2999-3008. PubMed ID: 26583700
    [Abstract] [Full Text] [Related]

  • 8. Second-order nonadiabatic couplings from time-dependent density functional theory: evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections.
    Hu C, Sugino O, Watanabe K.
    J Chem Phys; 2011 Aug 21; 135(7):074101. PubMed ID: 21861550
    [Abstract] [Full Text] [Related]

  • 9. Beyond Born-Oppenheimer constructed diabatic potential energy surfaces for F + H2 reaction.
    Mukherjee B, Naskar K, Mukherjee S, Ravi S, Shamasundar KR, Mukhopadhyay D, Adhikari S.
    J Chem Phys; 2020 Nov 07; 153(17):174301. PubMed ID: 33167635
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  • 11. Topological effects for nonsymmetrical configurations: the C2H+2 as a case study.
    Halász GJ, Vibók A, Baer M.
    J Chem Phys; 2007 Oct 14; 127(14):144108. PubMed ID: 17935387
    [Abstract] [Full Text] [Related]

  • 12. Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion.
    Mukherjee S, Mukherjee B, Sardar S, Adhikari S.
    J Chem Phys; 2015 Dec 28; 143(24):244307. PubMed ID: 26723671
    [Abstract] [Full Text] [Related]

  • 13. Dressed adiabatic and diabatic potentials to study topological effects for F + H2.
    Csehi A, Bende A, Halász GJ, Vibók Á, Das A, Mukhopadhyay D, Mukherjee S, Adhikari S, Baer M.
    J Phys Chem A; 2014 Aug 21; 118(33):6361-6. PubMed ID: 24521509
    [Abstract] [Full Text] [Related]

  • 14. Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems.
    Chen BJ, Pradhan E, Nooijen M, Zeng T.
    Chemphyschem; 2024 Jun 03; 25(11):e202400130. PubMed ID: 38427966
    [Abstract] [Full Text] [Related]

  • 15. Molecular symmetry properties of conical intersections and nonadiabatic coupling terms: theory and quantum chemical demonstration for cyclopenta-2,4-dienimine (C5H4NH).
    Al-Jabour S, Baer M, Deeb O, Leibscher M, Manz J, Xu X, Zilberg S.
    J Phys Chem A; 2010 Mar 11; 114(9):2991-3010. PubMed ID: 19894691
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. Seams near seams: the Jahn-Teller effect in the 1E" state of N3+.
    Dillon JJ, Yarkony DR.
    J Chem Phys; 2007 Mar 28; 126(12):124113. PubMed ID: 17411114
    [Abstract] [Full Text] [Related]

  • 18. 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
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