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Theoretical investigations of spin-orbit coupling and intersystem crossing in reaction carbon dioxide activated by [Re(CO)(2)](+)

Kang, JX; Wang, YC; Wu, JJ; Zhu, ZM

Wang, YC (reprint author), Northwest Normal Univ, Coll Chem & Chem Engn, Lanzhou 730070, Gansu, Peoples R China.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 0; ():

Abstract

In order to further explore the detailed reaction mechanism of carbon dioxide activated by [Re(CO)(2)](+) complex, CCSD(T) methods was performed to de......

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