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Journal Abstract Search

343 related items for PubMed ID: 16836456

  • 1. Computational study of the thermochemistry of organophosphorus(III) compounds.
    Dorofeeva OV, Moiseeva NF.
    J Phys Chem A; 2006 Jul 20; 110(28):8925-32. PubMed ID: 16836456
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  • 2. Are calculated enthalpies of formation sometimes more reliable than experimental? A test on alkyl substituted benzoic acids.
    Böhm S, Exner O.
    J Comput Chem; 2006 Apr 15; 27(5):571-7. PubMed ID: 16470668
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  • 3. Reaction pathways and free energy barriers for alkaline hydrolysis of insecticide 2-trimethylammonioethyl methylphosphonofluoridate and related organophosphorus compounds: electrostatic and steric effects.
    Xiong Y, Zhan CG.
    J Org Chem; 2004 Nov 26; 69(24):8451-8. PubMed ID: 15549820
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  • 4. Thermochemistry of 2- and 3-thiopheneacetic acids: calorimetric and computational study.
    Temprado M, Roux MV, Jiménez P, Foces-Foces C, Notario R.
    J Phys Chem A; 2008 Oct 16; 112(41):10378-85. PubMed ID: 18816026
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  • 5. Computational methods in organic thermochemistry. 1. Hydrocarbon enthalpies and free energies of formation.
    Bond D.
    J Org Chem; 2007 Jul 20; 72(15):5555-66. PubMed ID: 17580898
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  • 6. Thermodynamic and ab initio analysis of the controversial enthalpy of formation of formaldehyde.
    da Silva G, Bozzelli JW, Sebbar N, Bockhorn H.
    Chemphyschem; 2006 May 12; 7(5):1119-26. PubMed ID: 16596698
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  • 7. Energetics and structure of nicotinic acid (niacin).
    Gonçalves EM, Bernardes CE, Diogo HP, Minas da Piedade ME.
    J Phys Chem B; 2010 Apr 29; 114(16):5475-85. PubMed ID: 20377184
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  • 8. A Gaussian-3X prediction on the enthalpies of formation of chlorinated phenols and dibenzo-p-dioxins.
    Wang L, Heard DE, Pilling MJ, Seakins P.
    J Phys Chem A; 2008 Feb 28; 112(8):1832-40. PubMed ID: 18232671
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  • 15. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide.
    da Silva G, Bozzelli JW.
    J Phys Chem A; 2007 Nov 29; 111(47):12026-36. PubMed ID: 17983209
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  • 18. Experimental and computational study of the thermochemistry of the fluoromethylaniline isomers.
    Ribeiro da Silva MA, Ferreira AI, Gomes JR.
    J Phys Chem B; 2007 Jun 14; 111(23):6444-51. PubMed ID: 17518494
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  • 20. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3.
    Matus MH, Anderson KD, Camaioni DM, Autrey ST, Dixon DA.
    J Phys Chem A; 2007 May 24; 111(20):4411-21. PubMed ID: 17444621
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