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447 related items for PubMed ID: 18361580

  • 1. The double Renner effect in the X(2)A" and A(2)A' electronic states of HO(2).
    Melnikov VV, Odaka TE, Jensen P, Hirano T.
    J Chem Phys; 2008 Mar 21; 128(11):114316. PubMed ID: 18361580
    [Abstract] [Full Text] [Related]

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  • 3. Calculation of rovibronic intensities for triatomic molecules in double-Renner-degenerate electronic states: Application to the X (2)A(") and A (2)A(') electronic states of HO(2).
    Melnikov VV, Jensen P, Hirano T.
    J Chem Phys; 2009 Jun 14; 130(22):224105. PubMed ID: 19530760
    [Abstract] [Full Text] [Related]

  • 4. Theoretical study of the double Renner effect for A2Pi MgNC/MgCN: higher excited rovibrational states.
    Odaka TE, Melnikov VV, Jensen P, Hirano T, Lang B, Langer P.
    J Chem Phys; 2007 Mar 07; 126(9):094301. PubMed ID: 17362103
    [Abstract] [Full Text] [Related]

  • 5. 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]

  • 6. A Theoretical Investigation of the Renner Interactions and Magnetic Dipole Transitions in the Ã-&Xtilde; Electronic Band System of HO(2).
    Osmann G, Bunker PR, Jensen P, Buenker RJ, Gu Jp, Hirsch G.
    J Mol Spectrosc; 1999 Oct 14; 197(2):262-274. PubMed ID: 10479592
    [Abstract] [Full Text] [Related]

  • 7. Electronic structures and rovibronically averaged geometries of the X 6Ai' and A 6Ai" states of FeOH.
    Hirano T, Nagashima U, Winnewisser G, Jensen P.
    J Chem Phys; 2010 Mar 07; 132(9):094303. PubMed ID: 20210394
    [Abstract] [Full Text] [Related]

  • 8. Collision energy dependence of the O(1D) + HCl --> OH + Cl(2P) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces.
    Kohguchi H, Suzuki T, Nanbu S, Ishida T, Mil'nikov GV, Oloyede P, Nakamura H.
    J Phys Chem A; 2008 Feb 07; 112(5):818-25. PubMed ID: 18189375
    [Abstract] [Full Text] [Related]

  • 9. Ab initio potential energy surfaces and nonadiabatic interactions in the H+ +NO collision system.
    Amaran S, Kumar S, Köppel H.
    J Chem Phys; 2008 Mar 28; 128(12):124305. PubMed ID: 18376917
    [Abstract] [Full Text] [Related]

  • 10. Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.
    Zanchet A, Bussery-Honvault B, Jorfi M, Honvault P.
    Phys Chem Chem Phys; 2009 Aug 07; 11(29):6182-91. PubMed ID: 19606328
    [Abstract] [Full Text] [Related]

  • 11. Renner-Teller effect in linear tetra-atomic molecules. II. Rovibronic levels analysis of the X 2Pi(u) electronic state of HCCH+.
    Jutier L, Léonard C, Gatti F.
    J Chem Phys; 2009 Apr 07; 130(13):134302. PubMed ID: 19355727
    [Abstract] [Full Text] [Related]

  • 12. Potential energy surface and quantum dynamics study of rovibrational states for HO(3) (X (2)A'').
    Braams BJ, Yu HG.
    Phys Chem Chem Phys; 2008 Jun 07; 10(21):3150-5. PubMed ID: 18688380
    [Abstract] [Full Text] [Related]

  • 13. Bromine-loss and hydrogen-loss dissociations in low-lying electronic states of the CH3Br+ ion studied using multiconfiguration second-order perturbation theory.
    Xi HW, Huang MB.
    J Phys Chem A; 2006 Jul 06; 110(26):8167-73. PubMed ID: 16805504
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. A new mechanism for the production of highly vibrationally excited OH in the mesosphere: an ab initio study of the reactions of O2(A 3Sigmau+ and A' 3Deltau)+H.
    Liu J, Zhang P, Morokuma K, Sharma RD.
    J Chem Phys; 2005 Mar 08; 122(10):104315. PubMed ID: 15836323
    [Abstract] [Full Text] [Related]

  • 16. High-level ab initio calculations on HGeCl and the equilibrium geometry of the A1A'' state derived from Franck-Condon analysis of the single-vibronic-level emission spectra of HGeCl and DGeCl.
    Mok DK, Chau FT, Lee EP, Dyke JM.
    J Comput Chem; 2010 Feb 08; 31(3):476-91. PubMed ID: 19499544
    [Abstract] [Full Text] [Related]

  • 17. Study of the C(3P) + OH(X2Pi) --> CO(X1Sigma(g)+) + H(2S) reaction: a fully global ab initio potential energy surface of the X2A' state.
    Zanchet A, Bussery-Honvault B, Honvault P.
    J Phys Chem A; 2006 Nov 02; 110(43):12017-25. PubMed ID: 17064191
    [Abstract] [Full Text] [Related]

  • 18. F-loss and H-loss dissociations in low-lying electronic states of the CH3F+ ion studied using multiconfiguration second-order perturbation theory.
    Xi HW, Huang MB, Chen BZ, Li WZ.
    J Phys Chem A; 2005 Oct 13; 109(40):9149-55. PubMed ID: 16332024
    [Abstract] [Full Text] [Related]

  • 19. Inelastic scattering of the NCO(X2Pi) radical with the He atom on an ab initio potential energy surface.
    Kłos J, Toboła R, Chałasiński G.
    J Phys Chem A; 2009 Dec 31; 113(52):14480-7. PubMed ID: 19681624
    [Abstract] [Full Text] [Related]

  • 20. Ab initio prediction of the infrared-absorption spectrum of the C2Cl radical.
    Tarroni R, Carter S.
    J Chem Phys; 2005 Jul 01; 123(1):014320. PubMed ID: 16035848
    [Abstract] [Full Text] [Related]

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