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Robust Fragment-Based Method of Calculating Hydrogen Atom Transfer Activation Barrier in Complex Molecules.

Yizhou Liu,Frank C. Pickard,Gregory W. Sluggett, Iasson G. Mustakis

PHYSICAL CHEMISTRY CHEMICAL PHYSICS（2024）

Cited 1|Views9
Key words
Hydrogen Atom Transfer,Intramolecular Charge Transfer,Computational Chemistry
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