Computational study of ferrocene-based molecular frameworks with 2,5-diethynylpyridine as a chemical bridge

Materials

Volumn 3, Issue 4, 2010, Pages 2668-2683

  Ding, Feizhi ^a   Chen, Shaowei ^b   Wang, Haobin ^a  

^a NEW MEXICO STATE UNIVERSITY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Constrained density functional theory; Electron transfer; Mixed valence system; Nanoelectronics

Indexed keywords

COMPUTATIONAL APPROACH; COMPUTATIONAL STUDIES; ELECTRON TRANSFER; ELECTRON TRANSFER MECHANISMS; ELECTRONIC AND OPTICAL PROPERTIES; MIXED VALENCE SYSTEMS; MOLECULAR FRAMEWORKS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

ELECTRON TRANSITIONS; NANOELECTRONICS; ORGANOMETALLICS;

DENSITY FUNCTIONAL THEORY;

EID: 80053994358     PISSN: None     EISSN: 19961944     Source Type: Journal    
DOI: 10.3390/ma3042668     Document Type: Article

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