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Journal Abstract Search

326 related items for PubMed ID: 15740380

  • 1. High accuracy ab initio studies of Li6+, Li6-, and three isomers of Li6.
    Temelso B, Sherrill CD.
    J Chem Phys; 2005 Feb 08; 122(6):064315. PubMed ID: 15740380
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  • 3. Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinities.
    Sreeruttun RK, Ramasami P, Wannere CS, Simmonett AC, Schaefer HF.
    J Phys Chem A; 2008 Apr 03; 112(13):2838-45. PubMed ID: 18335906
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  • 6. Theoretical study on isomeric stabilities of C2H2Si and its ionization potentials and electron affinities.
    Ikuta S, Saitoh T, Wakamatsu S.
    J Chem Phys; 2004 Aug 22; 121(8):3478-85. PubMed ID: 15303912
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  • 9. Characterization of the X2A1, A2B1, and X2Pi electronic states of the Ga2H molecule and the X2A' and A 2A" isomerization transition states connecting the three minima.
    Wang H, Wang S, Yan G, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Jan 28; 124(4):044309. PubMed ID: 16460164
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  • 11. Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path.
    Varandas AJ.
    Phys Chem Chem Phys; 2011 May 28; 13(20):9796-811. PubMed ID: 21487618
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  • 12. 1-Germavinylidene (Ge═CH2), germyne (HGeCH), and 2-germavinylidene (H2Ge═C) molecules and isomerization reactions among them: anharmonic rovibrational analyses.
    Hao Q, Lu T, Wilke JJ, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF.
    J Phys Chem A; 2012 May 10; 116(18):4578-89. PubMed ID: 22490267
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  • 13. The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them.
    Turney JM, Sari L, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2005 Mar 01; 122(9):094304. PubMed ID: 15836125
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  • 16. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.
    Pollack L, Windus TL, de Jong WA, Dixon DA.
    J Phys Chem A; 2005 Aug 11; 109(31):6934-8. PubMed ID: 16834051
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  • 17. Elementary constituents of microdevices: the Ge2H fragment.
    Wang H, Wang S, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Oct 28; 125(16):164317. PubMed ID: 17092083
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  • 19. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B, Botek E, Nakano M, Nitta T, Yamaguchi K.
    J Chem Phys; 2005 Mar 15; 122(11):114315. PubMed ID: 15839724
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