Quantum diffusion theory hydrogen transfer

Intra- and intermolecular hydrogen transfer processes are important in a wide variety of chemical processes, ranging from free radical reactions (which make up the foundation of radiation chemistry) and tautomeriza-tion in the ground and excited states (a fundamental photochemical process) to bulk and surface diffusion (critical for heterogeneous catalytic processes). The exchange reaction H2 + H has always been the preeminent model for testing basic concepts of chemical dynamics theory because it is amenable to carrying out exact three-dimensional fully quantum mechanical calculations. This reaction is now studied in low-temperature solids as well. 

A few relatively recent applications of PI-QTST are summarized in this subsection. For other applications and extensions of the theory, the reader is referred to the growing list of PI-QTST papers in such areas as electron transfer theory [102-105] and simulation [50,98-100,102,106], proton transfer theory [107] and simulation [46,77,107-111], hydrogen diffusion in [112] and on [113-116] metals, molecular diffusion [117] and adsorption [118,119] on metals, and in the theory of condensed-phase effects in quantum activated dynamics [43,63, 66, 96, 97,120-122],... 

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