Spin‐Forbidden Reactions: Adiabatic Transition States Using Spin–Orbit Coupled Density Functional Theory.

Autor: Gaggioli, Carlo Alberto1, Belpassi, Leonardo2,3, Tarantelli, Francesco2,3,4, Harvey, Jeremy N.5 jeremy.harvey@kuleuven.be, Belanzoni, Paola2,3,4 paola.belanzoni@unipg.it
Zdroj: Chemistry - A European Journal. 4/6/2018, Vol. 24 Issue 20, p5006-5015. 10p.
Databáze: Academic Search Ultimate
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