Aparna Harshan

Aparna Harshan


Hydrogen Evolution Molecular Catalysts; Nonadiabatic Effects in Proton-Coupled Electron Transfer Reactions

aparnak2@illinois.edu

(217) 300-1480

M.Sc. in Chemistry, 2013
National Institute of Science Education and Research, Bhubaneswar, India

Publications

Computational study of fluorinated diglyoxime-iron complexes: Tuning the electrocatalytic pathways for hydrogen evolution

207. A. K. Harshan, B. H. Solis, J. R. Winkler, H. B. Gray, and S. Hammes-Schiffer, “Computational study of fluorinated diglyoxime-iron complexes: Tuning the electrocatalytic pathways for hydrogen evolution,” Inorg. Chem. 55, 2934–2940 (2016).

Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer

197. A. K. Harshan, T. Yu, A. V. Soudackov, and S. Hammes-Schiffer, “Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer,” J. Am. Chem. Soc. 137, 13545-13555 (2015).