| 1 |
Computational Tests of Quantum Chemical Models for Excited and Ionized States of Molecules with Phosphorus and Sulfur Atoms
Hahn DK, RaghuVeer K, Ortiz JV
Journal of Physical Chemistry A, 118(19), 3514, 2014 |
| 2 |
Simulant Molecules with Trivalent or Pentavalent Phosphorus Atoms: Bond Dissociation Energies and Other Thermodynamic and Structural Properties from Quantum Chemical Models
Hahn DK, RaghuVeer KS, Ortiz JV
Journal of Physical Chemistry A, 115(30), 8532, 2011 |
| 3 |
Computational Tests of Models for Kinetic Parameters of Unimolecular Reactions of Organophosphorus and Organosulfur Compounds
Hahn DK, RaghuVeer KS, Ortiz JV
Journal of Physical Chemistry A, 115(49), 14143, 2011 |
| 4 |
Computational Tests of Quantum Chemical Models for Structures, Vibrational Frequencies, and Heats of Formation of Molecules with Phosphorus and Sulfur Atoms
Hahn DK, RaghuVeer KS, Ortiz JV
Journal of Physical Chemistry A, 114(31), 8142, 2010 |
| 5 |
Stagnation of Flow in Protein Cavities by Boundary Element Microhydrodynamics
Aragon SR, Hahn DK
Journal of Physical Chemistry B, 113(9), 2657, 2009 |
| 6 |
Lowest Triplet-State of Indole - An Ab-Initio Study
Hahn DK, Callis PR
Journal of Physical Chemistry A, 101(14), 2686, 1997 |
| 7 |
MIE Scattering from Anisotropic Thick Spherical-Shells
Hahn DK, Aragon SR
Journal of Chemical Physics, 101(10), 8409, 1994 |
