| 1 |
Thermodynamics of Boroxine Formation from the Aliphatic Boronic Acid Monomers R-B(OH)(2) (R = H, H3C, H2N, HO, and F): A Computational Investigation
Bhat KL, Markham GD, Larkin JD, Bock CW
Journal of Physical Chemistry A, 115(26), 7785, 2011 |
| 2 |
Computational Investigation of the Oxidative Deboronation of Boroglycine, H2N-CH2-B(OH)(2), Using H2O and H2O2
Larkin JD, Markham GD, Milkevitch M, Brooks BR, Bock CW
Journal of Physical Chemistry A, 113(41), 11028, 2009 |
| 3 |
A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO
Larkin JD, Bhat KL, Markham GD, James TD, Brooks BR, Bock CW
Journal of Physical Chemistry A, 112(36), 8446, 2008 |
| 4 |
A computational investigation of the geometrical structure and protodeboronation of boroglycine, H2N-CH2-B(OH)(2)
Larkin JD, Bhat KL, Markham GD, Brooks BR, Lai JH, Bock CW
Journal of Physical Chemistry A, 111(28), 6489, 2007 |
| 5 |
Structure of the boronic acid dimer and the relative stabilities of its conformers
Larkin JD, Bhat KL, Markham GD, Brooks BR, Schaefer HF, Bock CW
Journal of Physical Chemistry A, 110(36), 10633, 2006 |
| 6 |
The arrangement of first- and second-shell water molecules in trivalent aluminum complexes: Results from density functional theory and structural crystallography
Bock CW, Markham GD, Katz AK, Glusker JP
Inorganic Chemistry, 42(5), 1538, 2003 |
| 7 |
The arrangement of first- and second-sphere water molecules in divalent magnesium complexes: Results from molecular orbital and density functional theory and from structural crystallography
Markham GD, Glusker JP, Bock CW
Journal of Physical Chemistry B, 106(19), 5118, 2002 |
| 8 |
Interactions of metal ions with water: Ab initio molecular orbital studies of structure, vibrational frequencies, charge distributions, bonding enthalpies, and deprotonation enthalpies. 2. Monohydroxides
Trachtman M, Markham GD, Glusker JP, George P, Bock CW
Inorganic Chemistry, 40(17), 4230, 2001 |
| 9 |
Manganese as a replacement for magnesium and zinc: Functional comparison of the divalent ions
Bock CW, Katz AK, Markham GD, Glusker JP
Journal of the American Chemical Society, 121(32), 7360, 1999 |
| 10 |
Interactions of metal ions with water : Ab initio molecular orbital studies of structure, bonding enthalpies, vibrational frequencies and charge distributions. 1. Monohydrates
Trachtman M, Markham GD, Glusker JP, George P, Bock CW
Inorganic Chemistry, 37(17), 4421, 1998 |
