Using artificial neural networks to develop molecular mechanics parameters for the modelling of metalloporphyrins: Part IV. Five-, six-coordinate metalloporphyrins of Mn, Co, Ni and Cu

Journal of Molecular Structure

Volumn 783, Issue 1-3, 2006, Pages 21-33

  Skopec, Catherine E ^a   Cukrowski, Ignacy ^a,b   Marques, Helder M ^a  

^a UNIVERSITY OF THE WITWATERSRAND   (South Africa)

^b UNIVERSITY OF PRETORIA   (South Africa)

Author keywords

Artificial neural networks; Force field; Metalloporphyrins; Molecular mechanics

Indexed keywords

CRYSTALLOGRAPHY; OXIDATION; PORPHYRINS; STATISTICAL METHODS; STRAIN;

METALLOPORPHYRINS; MOLECULAR MECHANICS; STRAIN FREE BOND LENGTH;

NEURAL NETWORKS;

EID: 31944451452     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.08.016     Document Type: Article

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