Dixon DA - Search Results

1

Free energies for degradation reactions of 1,2,3-trichloropropane from ab initio electronic structure theory.

Bylaska EJ, Glaesemann KR, Felmy AR, Vasiliu M, Dixon DA, Tratnyek PG. Bylaska EJ, et al. Among authors: dixon da. J Phys Chem A. 2010 Nov 25;114(46):12269-82. doi: 10.1021/jp105726u. Epub 2010 Nov 1. J Phys Chem A. 2010. PMID: 21038905

2

Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: density functional studies with relativistic effective core potentials.

de Jong WA, Aprà E, Windus TL, Nichols JA, Harrison RJ, Gutowski KE, Dixon DA. de Jong WA, et al. Among authors: dixon da. J Phys Chem A. 2005 Dec 22;109(50):11568-77. doi: 10.1021/jp0541462. J Phys Chem A. 2005. PMID: 16354049

3

Electronic structure of the hydroxo and methoxo oxometalate anions MO3(OH)- and MO3(OCH3)- (M = Cr, Mo, and W).

Waters T, Wang XB, Li S, Kiran B, Dixon DA, Wang LS. Waters T, et al. Among authors: dixon da. J Phys Chem A. 2005 Dec 29;109(51):11771-80. doi: 10.1021/jp054666x. J Phys Chem A. 2005. PMID: 16366627

4

Thermochemical properties of HxNO molecules and ions from ab initio electronic structure theory.

Dixon DA, Francisco JS, Alexeev Y. Dixon DA, et al. J Phys Chem A. 2006 Jan 12;110(1):185-91. doi: 10.1021/jp054642q. J Phys Chem A. 2006. PMID: 16392854

5

Accurate heats of formation of the "Arduengo-type" carbene and various adducts including H2 from ab initio molecular orbital theory.

Dixon DA, Arduengo AJ 3rd. Dixon DA, et al. J Phys Chem A. 2006 Feb 9;110(5):1968-74. doi: 10.1021/jp055527i. J Phys Chem A. 2006. PMID: 16451031

6

Solution state structure determination of silicate oligomers by 29SI NMR spectroscopy and molecular modeling.

Cho H, Felmy AR, Craciun R, Keenum JP, Shah N, Dixon DA. Cho H, et al. Among authors: dixon da. J Am Chem Soc. 2006 Feb 22;128(7):2324-35. doi: 10.1021/ja0559202. J Am Chem Soc. 2006. PMID: 16478188

7

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. Dixon DA, et al. J Phys Chem A. 2005 Jun 16;109(23):5129-35. doi: 10.1021/jp0445627. J Phys Chem A. 2005. PMID: 16833867

8

Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.

Pollack L, Windus TL, de Jong WA, Dixon DA. Pollack L, et al. Among authors: dixon da. J Phys Chem A. 2005 Aug 11;109(31):6934-8. doi: 10.1021/jp044564r. J Phys Chem A. 2005. PMID: 16834051

9

Thermodynamic properties of molecular borane phosphines, alane amines, and phosphine alanes and the [BH(4)(-)][PH(4)(+)], [AlH(4)(-)][NH(4)(+)], and [AlH(4)(-)][PH(4)(+)] salts for chemical hydrogen storage systems from ab initio electronic structure theory.

Grant DJ, Dixon DA. Grant DJ, et al. Among authors: dixon da. J Phys Chem A. 2005 Nov 10;109(44):10138-47. doi: 10.1021/jp054152y. J Phys Chem A. 2005. PMID: 16838934

10

Accurate thermochemical properties for energetic materials applications. I. Heats of formation of nitrogen-containing heterocycles and energetic precursor molecules from electronic structure theory.

Gutowski KE, Rogers RD, Dixon DA. Gutowski KE, et al. Among authors: dixon da. J Phys Chem A. 2006 Oct 26;110(42):11890-7. doi: 10.1021/jp0643698. J Phys Chem A. 2006. PMID: 17048822

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