Structure and Frontier Molecular Orbital (FMO) energies of α-Keggin-type polyoxometalate [PW12O40]3−: A systematical study with different functionals of density functional theory-Reference-Cited by-同舟云学术

Structure and Frontier Molecular Orbital (FMO) energies of α-Keggin-type polyoxometalate [PW12O40]3−: A systematical study with different functionals of density functional theory

Published:2016-08 Issue: Volume:1089 Page:28-34
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Wu Han-Ni,Wang Jing,Li Hong,Ma Na-Na,Zhang Ting,Shi Shao-Qing,Yan Li-Kai,Su Zhong-Min

Funder

National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference64 articles.

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4. Epoxidation of olefins with hydrogen peroxide catalyzed by polyoxometalates;Mizuno;Coord. Chem. Rev.,2005

5. Polyoxometalates in medicine;Rhule;Chem. Rev.,1998

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