| 1 |
Environmental effects on the structure of metal ion-DOTA complexes: An ab initio study of radiopharmaceutical metals
Lau EY, Lightstone FC, Colvin ME
Inorganic Chemistry, 45(23), 9225, 2006 |
| 2 |
Dynamics of DNA encapsulated in a hydrophobic nanotube
Lau EY, Lightstone FC, Colvin ME
Chemical Physics Letters, 412(1-3), 82, 2005 |
| 3 |
On the mechanisms of OH radical induced DNA-base damage: A comparative quantum chemical and Car-Parrinello molecular dynamics study
Wu YD, Mundy CJ, Colvin ME, Car R
Journal of Physical Chemistry A, 108(15), 2922, 2004 |
| 4 |
Dynamics studies of a malachite Green-RNA complex revealing the origin of the red-shift and energetic contributions of stacking interactions
Nguyen DH, Dieckmann T, Colvin ME, Fink WH
Journal of Physical Chemistry B, 108(4), 1279, 2004 |
| 5 |
Identity proton-transfer reactions from C-H, N-H, and O-H acids. An ab initio, DFT, and CPCM-B3LYP aqueous solvent model study
Keeffe JR, Gronert S, Colvin ME, Tran NL
Journal of the American Chemical Society, 125(38), 11730, 2003 |
| 6 |
Aromaticity and hydrogenation patterns in highly strained fullerenes
Grossman JC, Colvin ME, Tran NL, Louie SG, Cohen ML
Chemical Physics Letters, 356(3-4), 247, 2002 |
| 7 |
Accurate structures and binding energies for stacked uracil dimers
Leininger ML, Nielsen IMB, Colvin ME, Janssen CL
Journal of Physical Chemistry A, 106(15), 3850, 2002 |
| 8 |
Irradiated guanine: A Car-Parrinello molecular dynamics study of dehydrogenation in the presence of an OH radical
Mundy CJ, Colvin ME, Quong AA
Journal of Physical Chemistry A, 106(43), 10063, 2002 |
| 9 |
Guanine-cytosine base pairs in parallel-stranded DNA: An ab initio study of the keto-amino wobble pair versus the enol-imino minor tautomer pair
Barsky D, Colvin ME
Journal of Physical Chemistry A, 104(37), 8570, 2000 |
| 10 |
Theoretical study of the thermochemistry of molecules in the Si-B-H-Cl system
Ho P, Colvin ME, Melius CF
Journal of Physical Chemistry A, 101(49), 9470, 1997 |
