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Start Over Graduate Program Chemistry Year 2008 Committee Member Mark Maroncelli Committee Member Kristen Ann Fichthorn

1. QUANTUM MECHANICAL METHODS FOR CALCULATING PROTON TUNNELING SPLITTINGS AND PROTON-COUPLED ELECTRON TRANSFER VIBRONIC COUPLINGS

open_access
Open Access
Author:
Skone, Jonathan H
Title:
QUANTUM MECHANICAL METHODS FOR CALCULATING PROTON TUNNELING SPLITTINGS AND PROTON-COUPLED ELECTRON TRANSFER VIBRONIC COUPLINGS
Graduate Program:
Chemistry
Keywords:
electronically nonadiabatic
nonorthogonal configuration interaction
tunneling splitting
proton-coupled electron transfer
vibronic coupling
kinetic isotope effect
semiclassical method
proton transfer
File:
Download jhskone-dissertation.pdf
Committee Members:
Sharon Hammes Schiffer, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Mark Maroncelli, Committee Member
Kristen Ann Fichthorn, Committee Member