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List of works by Kristy Mardis

Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions: A Combined EPR and DFT Study

scientific article

Highly-efficient charge separation and polaron delocalization in polymer-fullerene bulk-heterojunctions: a comparative multi-frequency EPR and DFT study

scientific article

Interpreting trends in the binding of cyclic ureas to HIV-1 protease.

scientific article published in June 2001

Modeling molecular recognition: theory and application

scientific article published on January 2000

Polaron and Exciton Delocalization in Oligomers of High-Performance Polymer PTB7

scientific article published on 07 January 2020

Solution-state conformational ensemble of a hexameric porphyrin array characterized using molecular dynamics and X-ray scattering.

scientific article

Spin Signature of the C60 Fullerene Anion: A Combined X- and D-Band EPR and DFT Study

scientific article published on 03 July 2018

The Effectiveness of Newton's Method for ImprovingAb InitioForce Fields with Applications to CO2and H2CO ⬇️

scientific article published on February 1, 1998

The hydrogen catalyst cobaloxime: a multifrequency EPR and DFT study of cobaloxime's electronic structure.

scientific article published on 29 February 2012

X-ray Crystallographic, Multifrequency Electron Paramagnetic Resonance, and Density Functional Theory Characterization of the Ni(P(Cy)2N(tBu)2)2(n+) Hydrogen Oxidation Catalyst in the Ni(I) Oxidation State

scientific article

X-ray scattering combined with coordinate-based analyses for applications in natural and artificial photosynthesis.

scientific article

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