DFT and TD-DFT study on structures, related energies, frontier molecular orbitals and UV–Vis spectra of [M(Tp)(PPh3)(Cl)(L)] (M = Ru and Fe; L = C3H4N2 and C13H11N)-Reference-Cited by-同舟云学术

DFT and TD-DFT study on structures, related energies, frontier molecular orbitals and UV–Vis spectra of [M(Tp)(PPh3)(Cl)(L)] (M = Ru and Fe; L = C3H4N2 and C13H11N)

Published:2015-12 Issue: Volume:102 Page:216-223
ISSN:0277-5387
Container-title:Polyhedron
language:en
Short-container-title:Polyhedron

Author:

Wang Tsang-Hsiu,Hsiao Ching-Hsiang,Chen Shih-Hsiung,Cheng Yi-Tung,Chen Li-Yun

Funder

National Center for High-performance Computing of Taiwan

Publisher

Elsevier BV

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry

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