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Journal Abstract Search

331 related items for PubMed ID: 16913686

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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. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
    Lo PK, Lau KC.
    J Phys Chem A; 2011 Feb 10; 115(5):932-9. PubMed ID: 21210670
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  • 10. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI, Erhardt PW.
    J Phys Chem A; 2008 May 08; 112(18):4342-54. PubMed ID: 18373368
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  • 12. Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations.
    Grant DJ, Dixon DA, Francisco JS, Feller D, Peterson KA.
    J Phys Chem A; 2009 Oct 22; 113(42):11343-53. PubMed ID: 19780577
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  • 13. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T, Sundberg MR, Vehkamäki H, Noppel M, Blomqvist J, Kulmala M.
    J Phys Chem A; 2006 Jun 08; 110(22):7178-88. PubMed ID: 16737269
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  • 20. Heats of formation of XeF(3)(+), XeF(3)(-), XeF(5)(+), XeF(7)(+), XeF(7)(-), and XeF(8) from high level electronic structure calculations.
    Grant DJ, Wang TH, Dixon DA, Christe KO.
    Inorg Chem; 2010 Jan 04; 49(1):261-70. PubMed ID: 19994867
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