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Journal Abstract Search

650 related items for PubMed ID: 22490267

  • 1. 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]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. Characterization of the HSiN_HNSi system in its electronic ground state.
    Lind MC, Pickard FC, Ingels JB, Paul A, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2009 Mar 14; 130(10):104301. PubMed ID: 19292528
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. From acetylene complexes to vinylidene structures: The GeC(2) H(2) system.
    Hao Q, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF.
    J Comput Chem; 2011 Jan 15; 32(1):15-22. PubMed ID: 20602443
    [Abstract] [Full Text] [Related]

  • 6. Anharmonic rovibrational analysis for disilacyclopropenylidene (Si2CH2).
    Lu T, Wilke JJ, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2011 Apr 28; 134(16):164101. PubMed ID: 21528944
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. 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
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. 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]

  • 11. 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]

  • 12. Protonated carbonyl sulfide: prospects for the spectroscopic observation of the elusive HSCO+ isomer.
    Wheeler SE, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Jan 28; 124(4):044322. PubMed ID: 16460177
    [Abstract] [Full Text] [Related]

  • 13. Thermochemistry of the HOSO radical, a key intermediate in fossil fuel combustion.
    Wheeler SE, Schaefer HF.
    J Phys Chem A; 2009 Jun 18; 113(24):6779-88. PubMed ID: 19459665
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. BeCH2: the simplest metal carbene. High levels of theory.
    Qiu Y, Sokolov AY, Yamaguchi Y, Schaefer HF.
    J Phys Chem A; 2013 Sep 26; 117(38):9266-73. PubMed ID: 23972228
    [Abstract] [Full Text] [Related]

  • 16. Structures and transition states of Ge2CH2.
    Vogt-Geisse S, Sokolov AY, McNew SR, Yamaguchi Y, Schaefer HF.
    J Phys Chem A; 2013 Jul 18; 117(28):5765-74. PubMed ID: 23773133
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH.
    DeYonker NJ, Li S, Yamaguchi Y, Schaefer HF, Crawford TD, King RA, Peterson KA.
    J Chem Phys; 2005 Jun 15; 122(23):234316. PubMed ID: 16008450
    [Abstract] [Full Text] [Related]

  • 19. Enthalpy of formation and anharmonic force field of diacetylene.
    Simmonett AC, Schaefer HF, Allen WD.
    J Chem Phys; 2009 Jan 28; 130(4):044301. PubMed ID: 19191379
    [Abstract] [Full Text] [Related]

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