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Journal Abstract Search

187 related items for PubMed ID: 15740381

  • 1. The energetics and structural properties of diazomethyl (HCNN) and cyanomidyl (HNCN) radicals and their related cations and anions from ab initio calculations.
    Puzzarini C, Gambi A.
    J Chem Phys; 2005 Feb 08; 122(6):064316. PubMed ID: 15740381
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  • 3. Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O).
    Shepler BC, Balabanov NB, Peterson KA.
    J Phys Chem A; 2005 Nov 17; 109(45):10363-72. PubMed ID: 16833332
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  • 7. 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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  • 9. Accurate ab initio predictions of ionization energies and heats of formation for the 2-propyl, phenyl, and benzyl radicals.
    Lau KC, Ng CY.
    J Chem Phys; 2006 Jan 28; 124(4):044323. PubMed ID: 16460178
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  • 17. Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals.
    Lau KC, Zheng W, Wong NB, Li WK.
    J Chem Phys; 2007 Oct 21; 127(15):154302. PubMed ID: 17949144
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  • 18. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.
    Schuurman MS, Muir SR, Allen WD, Schaefer HF.
    J Chem Phys; 2004 Jun 22; 120(24):11586-99. PubMed ID: 15268193
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