Path-integral methods for non-adiabatic reaction rates

Path-integral methods for non-adiabatic reaction rates

<p>This thesis discusses recent progress in the development of path-integral methods for non-adiabatic reaction rates in large-scale atomistic simulations. Electronically non-adiabatic reactions are important in a wide range of phenomena, including electron transfer in DNA, enzymatic oxygenati...

书目详细资料
主要作者:	Lawrence, J
其他作者:	Manolopoulos, D
格式:	Thesis
语言:	English
出版:	2020
主题:	Chemistry, Physical and theoretical

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