Diabatization Schemes for Generating Charge-Localized Electron–Proton Vibronic States in Proton-Coupled Electron Transfer Systems
Sirjoosingh, Andrew, Hammes-Schiffer, SharonVolume:
7
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct200356b
Date:
September, 2011
File:
PDF, 3.54 MB
english, 2011