Molecular and electronic structures of mixed-valence exo,exo-1,12-dimethyl[1.1]ferrocenophanium triiodide

1985 ◽  
Vol 24 (26) ◽  
pp. 4559-4565 ◽  
Author(s):  
Michael F. Moore ◽  
Scott R. Wilson ◽  
Michelle J. Cohn ◽  
Teng Yuan Dong ◽  
Ulrich T. Mueller-Westerhoff ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Mixed Valence

ChemInform Abstract: Molecular and Electronic Structures of Mixed-Valence exo,exo-1,12-Dimethyl[1.1]ferrocenophanium Triiodide

1986 ◽  
Vol 17 (17) ◽  
Author(s):  
M. F. MOORE ◽  
S. R. WILSON ◽  
M. J. COHN ◽  
T.-Y. DONG ◽  
U. T. MUELLER-WESTERHOFF ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Mixed Valence

Electrostatic and Conformational Effects on the Electronic Structures of Distortional Isomers of a Mixed-Valence Binuclear Cu Complex

2001 ◽  
Vol 40 (25) ◽  
pp. 6375-6382 ◽  
Author(s):  
Stefan Franzen ◽  
Vincent M. Miskowski ◽  
Andrew P. Shreve ◽  
Stacie E. Wallace-Williams ◽  
William H. Woodruff ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Mixed Valence ◽  
Cu Complex ◽  
Conformational Effects

scholarly journals The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (57) ◽  
pp. 34690-34701
Author(s):  
Diem Thi-Xuan Dang ◽  
Hieu Cao Dong ◽  
Yoshiyuki Kawazoe ◽  
Jer-Lai Kuo ◽  
Duc Nguyen-Manh
Keyword(s):  
Magnetic Properties ◽  
Electronic Structures ◽  
Linear Response ◽  
Theoretical Study ◽  
Metal Organic Framework ◽  
Mixed Valence ◽  
Metal Organic ◽  
Photocatalytic Applications ◽  
Organic Framework

The effects of DMA+ cation orientation on the electronic structures and magnetic properties of the metal–organic framework VNU-15 are investigated, and VNU-15 is proved to be a prospective material for photocatalytic applications.

scholarly journals Effects of mixed-valence states of Eu-doped FAPbI3 perovskite crystals studied by first-principles calculation

2021 ◽  
Vol 2 (8) ◽  
pp. 2609-2616
Author(s):  
Atsushi Suzuki ◽  
Takeo Oku
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Mixed Valence ◽  
First Principles Calculation ◽  
Valence States

Effects of mixed-valence states of europium (Eu)-incorporated CH(NH2)2PbI3 (FAPbI3) and CH3NH3PbI3 (MAPbI3) perovskite crystals on electronic structures were investigated by first-principles calculation.

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