A time-dependent density functional theory study of the structure and electronic spectroscopy of the group 7 mixed-metal carbonyls: MnTc(CO) 10, MnRe(CO) 10, and TcRe(CO) 10

Journal of Physical Chemistry A

Volumn 116, Issue 37, 2012, Pages 9295-9304

  McKinlay, Russell G ^a   Paterson, Martin J ^a  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; ELECTRONIC SPECTROSCOPY; ELECTRONIC SPECTRUM; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

CARBONYLATION;

DENSITY FUNCTIONAL THEORY;

EID: 84866611371     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3073969     Document Type: Article

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