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Journal Abstract Search

474 related items for PubMed ID: 16460164

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. 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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  • 4. 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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  • 6. Structures and energetics of H(6)(+) clusters.
    Hao Q, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF.
    J Phys Chem A; 2009 Dec 03; 113(48):13608-20. PubMed ID: 19852448
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  • 7. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Sep 14; 125(10):104306. PubMed ID: 16999525
    [Abstract] [Full Text] [Related]

  • 8. 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]

  • 9. Water dimer radical cation: structures, vibrational frequencies, and energetics.
    Cheng Q, Evangelista FA, Simmonett AC, Yamaguchi Y, Schaefer HF.
    J Phys Chem A; 2009 Dec 10; 113(49):13779-89. PubMed ID: 19891464
    [Abstract] [Full Text] [Related]

  • 10. Triplet states of cyclopropenylidene and its isomers.
    Wu Q, Cheng Q, Yamaguchi Y, Li Q, Schaefer HF.
    J Chem Phys; 2010 Jan 28; 132(4):044308. PubMed ID: 20113034
    [Abstract] [Full Text] [Related]

  • 11. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL, Nizkorodov SA, Okumura M, Roehl CM, Francisco JS, Wennberg PO.
    J Chem Phys; 2004 Jul 15; 121(3):1432-48. PubMed ID: 15260688
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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
    [Abstract] [Full Text] [Related]

  • 13. The diazocarbene (CNN) molecule: characterization of the X 3Sigma- and A 3Pi electronic states.
    Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2004 May 22; 120(20):9536-46. PubMed ID: 15267965
    [Abstract] [Full Text] [Related]

  • 14. 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
    [Abstract] [Full Text] [Related]

  • 15. Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition.
    DeYonker NJ, Yamaguchi Y, Allen WD, Pak C, Schaefer HF, Peterson KA.
    J Chem Phys; 2004 Mar 08; 120(10):4726-41. PubMed ID: 15267333
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. 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
    [Abstract] [Full Text] [Related]

  • 19. Unusual isomers of disilacyclopropenylidene (Si2CH2).
    Wu Q, Hao Q, Yamaguchi Y, Li Q, Fang DC, Schaefer HF.
    J Phys Chem A; 2010 Jul 08; 114(26):7102-9. PubMed ID: 20540500
    [Abstract] [Full Text] [Related]

  • 20. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.
    Li QS, Zhang Y, Zhang S.
    J Chem Phys; 2004 Nov 15; 121(19):9474-80. PubMed ID: 15538868
    [Abstract] [Full Text] [Related]

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