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324 related items for PubMed ID: 17176141

  • 1. Experimental and ab initio study of a new D 1Deltag state of the C3 radical.
    Saha S, Western CM.
    J Chem Phys; 2006 Dec 14; 125(22):224307. PubMed ID: 17176141
    [Abstract] [Full Text] [Related]

  • 2. Ab initio calculations and vibrational energy level fits for the lower singlet potential-energy surfaces of C3.
    Ahmed K, Balint-Kurti GG, Western CM.
    J Chem Phys; 2004 Nov 22; 121(20):10041-51. PubMed ID: 15549879
    [Abstract] [Full Text] [Related]

  • 3. Ab Initio Investigation of the ellipsis pi(2)(g) (X(3)Sigma(-)(g), 1(1)Delta(g), 1(1)Sigma(+)(g)) Electronic States of NCN. Study of the Renner-Teller Effect in the 1(1)Delta(g) State.
    Peric M, Krmar M, Radic-Peric J, Hanrath M.
    J Mol Spectrosc; 2000 Dec 22; 204(2):226-234. PubMed ID: 11148092
    [Abstract] [Full Text] [Related]

  • 4. Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled pi shell.
    Sioutis I, Mishra S, Poluyanov LV, Domcke W.
    J Chem Phys; 2008 Mar 28; 128(12):124318. PubMed ID: 18376930
    [Abstract] [Full Text] [Related]

  • 5. 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]

  • 6. Giant Renner-Teller vibronic coupling in the BF2 radical: an ab initio study of the X (2)A1 and A (2)Pi electronic states.
    Tarroni R, Clouthier DJ.
    J Chem Phys; 2010 Aug 14; 133(6):064304. PubMed ID: 20707567
    [Abstract] [Full Text] [Related]

  • 7. 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. PubMed ID: 19405581
    [Abstract] [Full Text] [Related]

  • 8. The electronic spectrum of the C2P free radical and a Renner-Teller analysis of the 2Delta and X 2Pi electronic states.
    Sunahori FX, Wei J, Clouthier DJ.
    J Chem Phys; 2008 Jun 28; 128(24):244311. PubMed ID: 18601336
    [Abstract] [Full Text] [Related]

  • 9. Renner-teller effect, spin-orbit coupling, and fermi resonance in BrCN(+) (X̃(2)Π): a combined experimental and theoretical study.
    Li J, Li H, Mo Y.
    J Phys Chem A; 2010 Sep 23; 114(37):9973-80. PubMed ID: 20806930
    [Abstract] [Full Text] [Related]

  • 10. An ab initio study of the hyperfine structure in the X2 Pi electronic state of CCCH.
    Perić M, Mladenović M, Engels B.
    J Chem Phys; 2004 Aug 08; 121(6):2636-45. PubMed ID: 15281863
    [Abstract] [Full Text] [Related]

  • 11. Renner-Teller effect in C2H2+(X2Pi u) studied by rotationally resolved zero kinetic energy photoelectron spectroscopy.
    Yang J, Mo Y.
    J Phys Chem A; 2006 Sep 28; 110(38):11001-9. PubMed ID: 16986832
    [Abstract] [Full Text] [Related]

  • 12. An ab initio study of the vibronic structure in the a1Delta g electronic state of C2H2++.
    Perić M, Palaudoux J, Hochlaf M.
    J Phys Chem A; 2008 Jan 31; 112(4):768-74. PubMed ID: 18181588
    [Abstract] [Full Text] [Related]

  • 13. Jahn-Teller effect in van der Waals complexes; Ar-C6H6 + and Ar-C6D6 +.
    van der Avoird A, Lotrich VF.
    J Chem Phys; 2004 Jun 01; 120(21):10069-83. PubMed ID: 15268029
    [Abstract] [Full Text] [Related]

  • 14. An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.
    Zhou S, Li Z, Xie D, Lin SY, Guo H.
    J Chem Phys; 2009 May 14; 130(18):184307. PubMed ID: 19449921
    [Abstract] [Full Text] [Related]

  • 15. A dispersed fluorescence and ab initio investigation of the X2B1 and A2A1 electronic states of the PH2 molecule.
    Jakubek ZJ, Bunker PR, Zachwieja M, Nakhate SG, Simard B, Yurchenko SN, Thiel W, Jensen P.
    J Chem Phys; 2006 Mar 07; 124(9):94306. PubMed ID: 16526856
    [Abstract] [Full Text] [Related]

  • 16. Calculation of the vibronic structure of the X2Pi photoelectron spectra of XCN, X=F, Cl, and Br.
    Mishra S, Vallet V, Poluyanov LV, Domcke W.
    J Chem Phys; 2006 Jan 28; 124(4):044317. PubMed ID: 16460172
    [Abstract] [Full Text] [Related]

  • 17. Renner-Teller vibronic analysis for a tetra-atomic molecule. I. The effective Hamiltonian and matrix elements.
    He SG, Clouthier DJ.
    J Chem Phys; 2005 Jul 01; 123(1):014316. PubMed ID: 16035844
    [Abstract] [Full Text] [Related]

  • 18. An ab initio calculation of the anisotropic hyperfine coupling constants in the low-lying vibronic levels of the X 2Pi electronic state of CCCH.
    Mladenović M, Perić M, Engels B.
    J Chem Phys; 2004 Dec 22; 121(24):12361-70. PubMed ID: 15606255
    [Abstract] [Full Text] [Related]

  • 19. The Renner-Teller effect in HCCCl(+)(X̃(2)Π) studied by zero-kinetic energy photoelectron spectroscopy and ab initio calculations.
    Sun W, Dai Z, Wang J, Mo Y.
    J Chem Phys; 2015 May 21; 142(19):194304. PubMed ID: 26001458
    [Abstract] [Full Text] [Related]

  • 20. Is the HCCS radical linear in the excited state?
    He SG, Clouthier DJ.
    J Chem Phys; 2004 May 08; 120(18):8544-54. PubMed ID: 15267781
    [Abstract] [Full Text] [Related]

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