| 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 |
A Computational Investigation of the Nitrogen-Boron Interaction in o-(N,N-Dialkylaminomethyl)arylboronate Systems
Larkin JD, Fossey JS, James TD, Brooks BR, Bock CW
Journal of Physical Chemistry A, 114(47), 12531, 2010 |
| 3 |
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 |
| 4 |
Dimers of boroglycine and methylamine boronic acid: A computational comparison of the relative importance of dative versus hydrogen bonding
Larkin JD, Milkevitch M, Bhat KL, Markharn GD, Brooks BR, Bock CW
Journal of Physical Chemistry A, 112(1), 125, 2008 |
| 5 |
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 |
| 6 |
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 |
| 7 |
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 |
| 8 |
Assessing alkyl-, silyl-, and halo-substituent effects on the electron affinities of silyl radicals
Larkin JD, Bock CW, Schaefer HF
Journal of Physical Chemistry A, 109(44), 10100, 2005 |
| 9 |
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 |
| 10 |
Testing the kinetic energy functional: Kinetic energy density as a density functional
Sim E, Larkin J, Burke K, Bock CW
Journal of Chemical Physics, 118(18), 8140, 2003 |
