Fully Fledged Frozen Dihedral Approach to Compute Tunneling Ready State Structures and Gating Coordinate
<p> Hydride tunneling is among the most debated mechanism in physical organic chemistry and it has been gradually accepted by most specialists in the field as a potent tool to back up unusual kinetic isotope effects (KIE) for both primary 1 and Secondary 2 KIE’s. Those who are in fav...
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| Language: | EN |
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Southern Illinois University at Edwardsville
2018
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| Online Access: | http://pqdtopen.proquest.com/#viewpdf?dispub=10843953 |