Modelling the visible absorption spectra of copper(II) acetylacetonate by Density Functional Theory

Chemical Physics Letters

Volumn 492, Issue 1-3, 2010, Pages 14-18

  de Almeida, K J ^a   Cesar, A ^a   Rinkevicius, Z ^b   Vahtras, O ^b   Ågren, Hans ^b  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

3D TRANSITION; ACETYLACETONATE COMPLEXES; ACETYLACETONATES; COORDINATING SOLVENTS; CRYSTAL PHASE; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL DATA; LINEAR-RESPONSE THEORY; OPEN-SHELL; VISIBLE ABSORPTION SPECTRA;

ABSORPTION; ABSORPTION SPECTROSCOPY; COMPLEXATION; COPPER COMPOUNDS; LIGHT ABSORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 77953291481     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.04.022     Document Type: Article

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