Daniel Grant - Publications

Affiliations: 
Chemistry The University of Alabama, Tuscaloosa, AL 

32 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2013 Johnstone EV, Grant DJ, Poineau F, Fox L, Forster PM, Ma L, Gagliardi L, Czerwinski KR, Sattelberger AP. A trigonal-prismatic hexanuclear technetium(II) bromide cluster: solid-state synthesis and crystallographic and electronic structure. Inorganic Chemistry. 52: 5660-2. PMID 23659536 DOI: 10.1021/ic400967k  0.56
2012 Wang S, Parker TG, Grant DJ, Diwu J, Alekseev EV, Depmeier W, Gagliardi L, Albrecht-Schmitt TE. Elucidation of tetraboric acid with a new borate fundamental building block in a chiral uranyl fluoroborate. Inorganic Chemistry. 51: 11211-3. PMID 23088377 DOI: 10.1021/ic300741s  0.56
2012 Diwu J, Grant DJ, Wang S, Gagliardi L, Albrecht-Schmitt TE. Periodic trends in lanthanide and actinide phosphonates: discontinuity between plutonium and americium. Inorganic Chemistry. 51: 6906-15. PMID 22667198 DOI: 10.1021/ic300742p  0.56
2012 Polinski MJ, Grant DJ, Wang S, Alekseev EV, Cross JN, Villa EM, Depmeier W, Gagliardi L, Albrecht-Schmitt TE. Differentiating between trivalent lanthanides and actinides. Journal of the American Chemical Society. 134: 10682-92. PMID 22642795 DOI: 10.1021/ja303804r  0.56
2012 Vasiliu M, Grant DJ, Feller D, Dixon DA. Heats of formation of MHxCly (M = Si, P, As, Sb) compounds and main group fluorides from high level electronic structure calculations. The Journal of Physical Chemistry. A. 116: 3717-27. PMID 22397634 DOI: 10.1021/jp2119229  0.56
2011 Feller D, Vasiliu M, Grant DJ, Dixon DA. Thermodynamic properties of arsenic compounds and the heat of formation of the As atom from high level electronic structure calculations. The Journal of Physical Chemistry. A. 115: 14667-76. PMID 22091635 DOI: 10.1021/jp209097x  0.56
2011 Grant DJ, Wang TH, Vasiliu M, Dixon DA, Christe KO. F+ and F⁻ affinities of simple N(x)F(y) and O(x)F(y) compounds. Inorganic Chemistry. 50: 1914-25. PMID 21271710 DOI: 10.1021/ic102310v  0.56
2010 Campbell PG, Abbey ER, Neiner D, Grant DJ, Dixon DA, Liu SY. Resonance stabilization energy of 1,2-azaborines: a quantitative experimental study by reaction calorimetry. Journal of the American Chemical Society. 132: 18048-50. PMID 21141893 DOI: 10.1021/ja109596m  0.56
2010 Christe KO, Dixon DA, Grant DJ, Haiges R, Tham FS, Vij A, Vij V, Wang TH, Wilson WW. Dinitrogen difluoride chemistry. improved syntheses of cis- and trans-N2F2, synthesis and characterization of N2F(+)Sn2F9(-), ordered crystal structure of N2F(+)Sb2F11(-), high-level electronic structure calculations of cis-N2F2, trans-N2F2, F2N=N, and N2F(+), and Mechanism of the trans-cis isomerization of N2F2. Inorganic Chemistry. 49: 6823-33. PMID 20465274 DOI: 10.1021/ic100471s  0.56
2010 Campbell PG, Zakharov LN, Grant DJ, Dixon DA, Liu SY. Hydrogen storage by boron-nitrogen heterocycles: a simple route for spent fuel regeneration. Journal of the American Chemical Society. 132: 3289-91. PMID 20214402 DOI: 10.1021/ja9106622  0.56
2010 Grant DJ, Garner EB, Matus MH, Nguyen MT, Peterson KA, Francisco JS, Dixon DA. Thermodynamic properties of the XO(2), X(2)O, XYO, X(2)O(2), and XYO(2) (X, Y = Cl, Br, and I) isomers. The Journal of Physical Chemistry. A. 114: 4254-65. PMID 20187618 DOI: 10.1021/jp911320p  0.56
2010 Truong BT, Grant DJ, Nguyen MT, Dixon DA. Thermochemistry and electronic structure of small boron clusters (B(n), n = 5-13) and their anions. The Journal of Physical Chemistry. A. 114: 994-1007. PMID 20000610 DOI: 10.1021/jp9085848  0.56
2010 Grant DJ, Wang TH, Dixon DA, Christe KO. Heats of formation of XeF(3)(+), XeF(3)(-), XeF(5)(+), XeF(7)(+), XeF(7)(-), and XeF(8) from high level electronic structure calculations. Inorganic Chemistry. 49: 261-70. PMID 19994867 DOI: 10.1021/ic901956g  0.56
2009 Grant DJ, Dixon DA, Francisco JS, Feller D, Peterson KA. Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations. The Journal of Physical Chemistry. A. 113: 11343-53. PMID 19780577 DOI: 10.1021/jp905847e  0.56
2009 Grant DJ, Dixon DA, Camaioni D, Potter RG, Christe KO. Lewis acidities and hydride, fluoride, and X- affinities of the BH(3-n)Xn compounds for (X = F, Cl, Br, I, NH2, OH, and SH) from coupled cluster theory. Inorganic Chemistry. 48: 8811-21. PMID 19697951 DOI: 10.1021/ic901092x  0.56
2009 Grant DJ, Matus MH, Anderson KD, Camaioni DM, Neufeldt SR, Lane CF, Dixon DA. Thermochemistry for the dehydrogenation of methyl-substituted ammonia borane compounds. The Journal of Physical Chemistry. A. 113: 6121-32. PMID 19422181 DOI: 10.1021/jp902196d  0.56
2009 Nguyen MT, Matus MH, Ngan VT, Grant DJ, Dixon DA. Thermochemistry and electronic structure of small boron and boron oxide clusters and their anions. The Journal of Physical Chemistry. A. 113: 4895-909. PMID 19331375 DOI: 10.1021/jp811391v  0.56
2009 Grant DJ, Dixon DA. Heats of formation and bond dissociation energies of the halosilanes, methylhalosilanes, and halomethylsilanes. The Journal of Physical Chemistry. A. 113: 3656-61. PMID 19320492 DOI: 10.1021/jp811386v  0.56
2009 Grant DJ, Dixon DA. Heats of formation and bond energies of the H(3-n)BX(n) compounds for (X = F, Cl, Br, I, NH2, OH, and SH). The Journal of Physical Chemistry. A. 113: 777-87. PMID 19177624  0.56
2009 Grant DJ, Arduengo AJ, Dixon DA. Diammoniosilane: computational prediction of the thermodynamic properties of a potential chemical hydrogen storage system. The Journal of Physical Chemistry. A. 113: 750-5. PMID 19123851 DOI: 10.1021/jp807870w  0.56
2008 Pons V, Baker RT, Szymczak NK, Heldebrant DJ, Linehan JC, Matus MH, Grant DJ, Dixon DA. Coordination of aminoborane, NH(2)BH(2), dictates selectivity and extent of H(2) release in metal-catalysed ammonia borane dehydrogenation. Chemical Communications (Cambridge, England). 6597-9. PMID 19057791 DOI: 10.1039/b809190k  0.56
2008 Dixon DA, Grant DJ, Christe KO, Peterson KA. Structure and heats of formation of iodine fluorides and the respective closed-shell ions from CCSD(T) electronic structure calculations and reliable prediction of the steric activity of the free-valence electron pair in ClF6-, BrF6-, and IF6-. Inorganic Chemistry. 47: 5485-94. PMID 18476690 DOI: 10.1021/ic800021h  0.56
2008 Grant DJ, Dixon DA, Kemeny AE, Francisco JS. Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations. The Journal of Chemical Physics. 128: 164305. PMID 18447437 DOI: 10.1063/1.2902983  0.56
2008 Grant DJ, Matus MH, Switzer JR, Dixon DA, Francisco JS, Christe KO. Bond dissociation energies in second-row compounds. The Journal of Physical Chemistry. A. 112: 3145-56. PMID 18351757 DOI: 10.1021/jp710373e  0.56
2007 Dixon DA, Wang TH, Grant DJ, Peterson KA, Christe KO, Schrobilgen GJ. Heats of formation of krypton fluorides and stability predictions for KrF4 and KrF6 from high level electronic structure calculations. Inorganic Chemistry. 46: 10016-21. PMID 17941630 DOI: 10.1021/ic701313h  0.56
2007 Nguyen VS, Matus MH, Grant DJ, Nguyen MT, Dixon DA. Computational study of the release of H2 from ammonia borane dimer (BH3NH3)2 and its ion pair isomers. The Journal of Physical Chemistry. A. 111: 8844-56. PMID 17705356 DOI: 10.1021/jp0732007  0.56
2007 Grant DJ, Dixon DA, Francisco JS. Coupled cluster study of the energetic properties of S2x (x=0,+1,1). The Journal of Chemical Physics. 126: 144308. PMID 17444713 DOI: 10.1063/1.2715580  0.56
2007 Schneider S, Gerken M, Haiges R, Schroer T, Boatz JA, Dixon DA, Grant DJ, Christe KO. Synthesis and characterization of silyldichloramines, their reactions with F- ions, instability of N2Cl2 and NCl2-, and formation of NCl3. Inorganic Chemistry. 46: 93-102. PMID 17198416 DOI: 10.1021/ic0609103  0.56
2007 Stephens FH, Baker RT, Matus MH, Grant DJ, Dixon DA. Acid initiation of ammonia-borane dehydrogenation for hydrogen storage. Angewandte Chemie (International Ed. in English). 46: 746-9. PMID 17131438 DOI: 10.1002/anie.200603285  0.56
2006 Grant DJ, Dixon DA. Sigma- and pi-bond strengths in main group 3-5 compounds. The Journal of Physical Chemistry. A. 110: 12955-62. PMID 17125312 DOI: 10.1021/jp065085q  0.56
2006 Gan Z, Grant DJ, Harrison RJ, Dixon DA. The lowest energy states of the group-IIIA-group-VA heteronuclear diatomics: BN, BP, AlN, and AlP from full configuration interaction calculations. The Journal of Chemical Physics. 125: 124311. PMID 17014178 DOI: 10.1063/1.2335446  0.56
2005 Grant DJ, Dixon DA. 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. The Journal of Physical Chemistry. A. 109: 10138-47. PMID 16838934 DOI: 10.1021/jp054152y  0.56
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