| 1 |
Calculation of Standard Reduction Potentials of Amino Acid Radicals and the Effects of Water and Incorporation into Peptides
Close DM, Wardman P
Journal of Physical Chemistry A, 122(1), 439, 2018 |
| 2 |
Calculations of the Energetics of Oxidation of Aqueous Nucleosides and the Effects of Prototropic Equilibria
Close DM, Wardman P
Journal of Physical Chemistry A, 120(23), 4043, 2016 |
| 3 |
Calculated pK(a)'s of the DNA Base Radical Ions
Close DM
Journal of Physical Chemistry A, 117(2), 473, 2013 |
| 4 |
DNA Damage by the Direct Effect of Ionizing Radiation: Products Produced by Two Sequential One-Electron Oxidations
Close DM, Nelson WH, Bernhard WA
Journal of Physical Chemistry A, 117(47), 12608, 2013 |
| 5 |
Calculating Hyperfine Couplings in Large Ionic Crystals Containing Hundreds of QM Atoms: Subsystem DFT Is the Key
Kevorkyants R, Wang XQ, Close DM, Pavanello M
Journal of Physical Chemistry B, 117(45), 13967, 2013 |
| 6 |
Calculated Vertical Ionization Energies of the Common alpha-Amino Acids in the Gas Phase and in Solution
Close DM
Journal of Physical Chemistry A, 115(13), 2900, 2011 |
| 7 |
One-Electron Oxidation of Individual DNA Bases and DNA Base Stacks
Close DM
Journal of Physical Chemistry A, 114(4), 1860, 2010 |
| 8 |
Theoretical elucidation of conflicting experimental data on vertical ionization potentials of microhydrated thymine
Close DM, Crespo-Hernandez CE, Gorb L, Leszczynski J
Journal of Physical Chemistry A, 112(19), 4405, 2008 |
| 9 |
One-electron oxidation of 2'-deoxyadenosine-5'-phosphate: Comparisons of theoretical calculations with experimental values
Close DM
Journal of Physical Chemistry A, 112(36), 8411, 2008 |
| 10 |
Ionization Energies of the Nucleotides
Close DM, Ohman KT
Journal of Physical Chemistry A, 112(44), 11207, 2008 |
