DFT theoretical studies of UV-Vis spectra and solvent effects in olefin polymerization catalysts

Chemical Physics Letters

Volumn 401, Issue 4-6, 2005, Pages 515-521

  Belelli, P G ^a   Damiani, D E ^b   Castellani, N J ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

^b PLAPIQUI UNS CONICET   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; LIGHT POLARIZATION; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SOLVENTS; SPHERES;

DENSITY FUNCTIONAL THEORY (DFT); METALLOCENIC SYSTEM; SOLVATION ENERGIES; SOLVENT EFFECTS;

ULTRAVIOLET SPECTROSCOPY;

ALKENE;

ARTICLE; CALCULATION; CATALYST; CHEMICAL MODEL; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY; EXCITATION; POLYMERIZATION; SOLVATION; ULTRAVIOLET SPECTROSCOPY;

EID: 84962418112     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.11.089     Document Type: Article

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