AM1* parameters for manganese and iron

Journal of Molecular Modeling

Volumn 16, Issue 6, 2010, Pages 1109-1126

  Kayi, Hakan ^a   Clark, Timothy ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

AM1*; Iron parameters; Manganese parameters Semiempirical MO theory

Indexed keywords

ALUMINUM; BROMINE; CARBON; CHLORINE; CHROMIUM; COBALT; COPPER; FLUORINE; GOLD; HYDROGEN; IODINE; IRON; MANGANESE; MOLYBDENUM; NICKEL; NITROGEN; OXYGEN; PHOSPHORUS; SILICON; SULFUR; TITANIUM; VANADIUM; ZINC; ZIRCONIUM;

ARTICLE; CHEMICAL ANALYSIS; INTERMETHOD COMPARISON; PRIORITY JOURNAL; ALGORITHM; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; IRON; MANGANESE; MODELS, CHEMICAL; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 77955174876     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0614-y     Document Type: Article

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