Tools of the trade in modeling inorganic reactions. From balls and sticks to HOMO's and LUMO's

Dalton Transactions

Volumn , Issue 5, 2002, Pages 642-652

  Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; ELECTRONIC STRUCTURE; FREE ENERGY; POTENTIAL ENERGY; QUANTUM THEORY; SOLVENT EXTRACTION; SURFACES;

CRYSTAL-FIELD (CF) THEORY; POTENTIAL ENERGY SURFACES (PES); REACTION RATES;

REACTION KINETICS;

EID: 21844454170     PISSN: 14779226     EISSN: None     Source Type: Journal    
DOI: 10.1039/b106126g     Document Type: Conference Paper

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