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Journal Abstract Search

1412 related items for PubMed ID: 18767778

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  • 6. Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory.
    Dixon DA, Gutowski M.
    J Phys Chem A; 2005 Jun 16; 109(23):5129-35. PubMed ID: 16833867
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  • 7. A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface.
    Krishtal SP, Mebel AM, Kaiser RI.
    J Phys Chem A; 2009 Oct 22; 113(42):11112-28. PubMed ID: 19610595
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  • 8. Theoretical study of the binding of silane (SiH4) with borane (BH3), diborane (B2H6), and boron trichloride (BCl3): the role of core-electron correlation.
    Xu P, Gordon MS, Nguyen B.
    J Phys Chem A; 2012 Nov 29; 116(47):11668-72. PubMed ID: 23102377
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  • 10. The reaction of tricarbon with acetylene: an ab initio/RRKM study of the potential energy surface and product branching ratios.
    Mebel AM, Kim GS, Kislov VV, Kaiser RI.
    J Phys Chem A; 2007 Jul 26; 111(29):6704-12. PubMed ID: 17391012
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  • 12. Computational study of the initial stage of diborane pyrolysis.
    Sun B, McKee ML.
    Inorg Chem; 2013 May 20; 52(10):5962-9. PubMed ID: 23642109
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  • 13. Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(2Sigma+) + C4H2(1Sigma(g)+) and C4H(2Sigma+) + C2H2(1Sigma(g)+) reactions.
    Landera A, Krishtal SP, Kislov VV, Mebel AM, Kaiser RI.
    J Chem Phys; 2008 Jun 07; 128(21):214301. PubMed ID: 18537416
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  • 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
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  • 15. Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: a completely renormalized coupled-cluster study.
    Kinal A, Piecuch P.
    J Phys Chem A; 2007 Feb 01; 111(4):734-42. PubMed ID: 17249766
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  • 18. Diammoniosilane: computational prediction of the thermodynamic properties of a potential chemical hydrogen storage system.
    Grant DJ, Arduengo AJ, Dixon DA.
    J Phys Chem A; 2009 Jan 29; 113(4):750-5. PubMed ID: 19123851
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  • 20. Computational study of methyl derivatives of ammonia borane for hydrogen storage.
    Sun CH, Yao XD, Du AJ, Li L, Smith S, Lu GQ.
    Phys Chem Chem Phys; 2008 Oct 28; 10(40):6104-6. PubMed ID: 18846299
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