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Journal Abstract Search


484 related items for PubMed ID: 18688380

  • 41. On the mechanism of the cis-trans isomerization in the lowest electronic states of azobenzene: S0, S1, and T1.
    Cembran A, Bernardi F, Garavelli M, Gagliardi L, Orlandi G.
    J Am Chem Soc; 2004 Mar 17; 126(10):3234-43. PubMed ID: 15012153
    [Abstract] [Full Text] [Related]

  • 42. Triplet and ground state potential energy surfaces of 1,4-diphenyl-1,3-butadiene: theory and experiment.
    Saltiel J, Dmitrenko O, Pillai ZS, Klima R, Wang S, Wharton T, Huang ZN, van de Burgt LJ, Arranz J.
    Photochem Photobiol Sci; 2008 May 17; 7(5):566-77. PubMed ID: 18465013
    [Abstract] [Full Text] [Related]

  • 43. Stability and thermal rearrangement of (E,E)-1,3-cycloheptadiene and trans-bicyclo[3.2.0]hept-6-ene.
    Qin C, Davis SR, Zhao Z, Magers DH.
    J Phys Chem A; 2006 Feb 09; 110(5):2034-8. PubMed ID: 16451039
    [Abstract] [Full Text] [Related]

  • 44. Quantum wave packet study of the H+ + D2 reaction on diabatic potential energy surfaces.
    Lu RF, Chu TS, Han KL.
    J Phys Chem A; 2005 Aug 04; 109(30):6683-8. PubMed ID: 16834020
    [Abstract] [Full Text] [Related]

  • 45. Theoretical characterization of the gas-phase O(3)HO hydrogen-bonded complex.
    Mansergas A, Anglada JM.
    Chemphyschem; 2006 Jul 17; 7(7):1488-93. PubMed ID: 16755642
    [Abstract] [Full Text] [Related]

  • 46. A quantum chemistry study of the Cl atom reaction with formaldehyde.
    Gruber-Stadler M, Mühlhäuser M, Sellevåg SR, Nielsen CJ.
    J Phys Chem A; 2008 Jan 10; 112(1):9-22. PubMed ID: 18069803
    [Abstract] [Full Text] [Related]

  • 47. Ab initio potential energy surface and rovibrational spectrum of Ar-HCCCN.
    Zhou Y, Xie D.
    J Chem Phys; 2004 Aug 08; 121(6):2630-5. PubMed ID: 15281862
    [Abstract] [Full Text] [Related]

  • 48. Internal rotation in peroxynitrous acid (ONOOH).
    McGrath MP, Rowland FS.
    J Chem Phys; 2005 Apr 01; 122(13):134312. PubMed ID: 15847470
    [Abstract] [Full Text] [Related]

  • 49. Theoretical studies of potential energy surface and rotational spectra of Xe-H(2)O van der Waals complex.
    Wang L, Yang M.
    J Chem Phys; 2008 Nov 07; 129(17):174305. PubMed ID: 19045345
    [Abstract] [Full Text] [Related]

  • 50. Potential energy surface and rovibrational calculations for the Mg+-H2 and Mg+-D2 complexes.
    Dryza V, Bieske EJ, Buchachenko AA, Kłos J.
    J Chem Phys; 2011 Jan 28; 134(4):044310. PubMed ID: 21280728
    [Abstract] [Full Text] [Related]

  • 51. Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2.
    Balabanov NB, Shepler BC, Peterson KA.
    J Phys Chem A; 2005 Oct 06; 109(39):8765-73. PubMed ID: 16834279
    [Abstract] [Full Text] [Related]

  • 52. Diphosphene and diphosphinylidene.
    Lu T, Simmonett AC, Evangelista FA, Yamaguchi Y, Schaefer HF.
    J Phys Chem A; 2009 Nov 26; 113(47):13227-36. PubMed ID: 19594123
    [Abstract] [Full Text] [Related]

  • 53. Photophysical studies of the trans to cis isomerization of the push-pull molecule: 1-(pyridin-4-yl)-2-(N-methylpyrrol-2-yl)ethene (mepepy).
    Mokdad A, Belof JL, Yi SW, Shuler SE, McLaughlin ML, Space B, Larsen RW.
    J Phys Chem A; 2008 Sep 11; 112(36):8310-5. PubMed ID: 18700732
    [Abstract] [Full Text] [Related]

  • 54. Quantum chemical study of trimolecular reaction mechanism between nitric oxide and oxygen in the gas phase.
    Gadzhiev OB, Ignatov SK, Razuvaev AG, Masunov AE.
    J Phys Chem A; 2009 Aug 13; 113(32):9092-101. PubMed ID: 19610649
    [Abstract] [Full Text] [Related]

  • 55. Ab initio potential energy surfaces for the ground (X1A') and excited (A1A'') electronic states of HGeBr and the Absorption and emission spectra of HGeBr/DGeBr.
    Lin S, Xie D, Guo H.
    J Phys Chem A; 2009 Jul 02; 113(26):7314-21. PubMed ID: 19290597
    [Abstract] [Full Text] [Related]

  • 56. 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]

  • 57. Characterization of the BNNO Radical.
    Cheng Q, Simmonett AC, Evangelista FA, Yamaguchi Y, Schaefer HF.
    J Chem Theory Comput; 2010 Jun 08; 6(6):1915-23. PubMed ID: 26615850
    [Abstract] [Full Text] [Related]

  • 58. The H(2)O(++) Ground State Potential Energy Surface.
    Bunker PR, Bludsky O, Jensen P, Wesolowski SS, Van Huis TJ, Yamaguchi Y, Schaefer HF.
    J Mol Spectrosc; 1999 Dec 08; 198(2):371-375. PubMed ID: 10547318
    [Abstract] [Full Text] [Related]

  • 59. Crossed-beams and theoretical studies of the O((3)P) + H(2)O --> HO(2) + H reaction excitation function.
    Brunsvold AL, Zhang J, Upadhyaya HP, Minton TK, Camden JP, Paci JT, Schatz GC.
    J Phys Chem A; 2007 Nov 01; 111(43):10907-13. PubMed ID: 17927161
    [Abstract] [Full Text] [Related]

  • 60.
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