Systematic characterization on electronic structures and spectra for a series of complexes, M(IDB)Cl2 (M = Mn, Fe, Co, Ni, Cu and Zn): A theoretical study

Journal of Molecular Modeling

Volumn 15, Issue 5, 2009, Pages 469-479

  Zhu, Yanyan ^a   Chen, Zhanfen ^b   Guo, Zijian ^b   Wang, Yan ^a   Chen, Guangju ^b  

^a BEIJING NORMAL UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

Coordination stability; DFT B3LYP; IDB; Spectra; TD DFT; Transition metals

Indexed keywords

AMINE; COBALT COMPLEX; COPPER COMPLEX; DNA; IRON COMPLEX; MANGANESE DERIVATIVE; METAL COMPLEX; NICKEL COMPLEX; ZINC COMPLEX;

ABSORPTION SPECTROSCOPY; ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; CHEMICAL ANALYSIS; CONTROLLED STUDY; DNA BINDING; ENERGY TRANSFER; MOLECULAR ELECTRONICS; MOLECULAR STABILITY; OSCILLATOR; PRIORITY JOURNAL; QUANTUM YIELD; TENSILE STRENGTH; THEORETICAL STUDY; ULTRAVIOLET RADIATION;

EID: 84962343500     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0432-7     Document Type: Article

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