| 1 |
Polaron and Exciton Delocalization in Oligomers of High-Performance Polymer PTB7
Niklas J, Zheng TY, Neshchadin A, Mardis KL, Yu LP, Poluektov OG
Journal of the American Chemical Society, 142(3), 1359, 2020 |
| 2 |
X-ray Crystallographic, Multifrequency Electron Paramagnetic Resonance, and Density Functional Theory Characterization of the Ni((P2N2tBu)-N-Cy)(2)(n+)) Hydrogen Oxidation Catalyst in the Ni(I) Oxidation State
Niklas J, Westwood M, Mardis KL, Brown TL, Pitts-McCoy AM, Hopkins MD, Poluektov OG
Inorganic Chemistry, 54(13), 6226, 2015 |
| 3 |
The Hydrogen Catalyst Cobaloxime: A Multifrequency EPR and DFT Study of Cobaloxime's Electronic Structure
Niklas J, Mardis KL, Rakhimov RR, Mulfort KL, Tiede DM, Poluektov OG
Journal of Physical Chemistry B, 116(9), 2943, 2012 |
| 4 |
Solution-State Conformational Ensemble of a Hexameric Porphyrin Array Characterized Using Molecular Dynamics and X-ray Scattering
Mardis KL, Sutton HM, Zuo XB, Lindsey JS, Tiede DM
Journal of Physical Chemistry A, 113(11), 2516, 2009 |
| 5 |
Can configuration entropy losses be predicted from the binding affinities of hydrogen-bonded complexes with varying numbers of single bonds?
Mardis KL
Journal of Physical Chemistry B, 110(2), 971, 2006 |
| 6 |
Competition between intra- and intermolecular hydrogen bonding: Effect on para/ortho adsorptive selectivity for substituted phenols
Glemza AJ, Mardis KL, Chaudhry AA, Gilson MK, Payne GF
Industrial & Engineering Chemistry Research, 39(2), 463, 2000 |
| 7 |
Intramolecular versus intermolecular hydrogen bonding in the adsorption of aromatic alcohols onto an acrylic ester sorbent
Mardis KL, Brune RJ, Vishwanath P, Giorgis B, Payne GF, Gilson MK
Journal of Physical Chemistry B, 104(19), 4735, 2000 |
| 8 |
Differential adsorption of phenol derivatives onto a polymeric sorbent: A combined molecular modeling and experimental study
Mardis KL, Glemza AJ, Brune BJ, Payne GF, Gilson MK
Journal of Physical Chemistry B, 103(45), 9879, 1999 |
| 9 |
The effect of nonadiabatic coupling on the calculation of N(E,J) for the methane association reaction
Mardis KL, Sibert EL
Journal of Chemical Physics, 109(20), 8897, 1998 |
| 10 |
Derivation of Rotation-Vibration Hamiltonians That Satisfy the Casimir Condition
Mardis KL, Sibert EL
Journal of Chemical Physics, 106(16), 6618, 1997 |
