AM1* parameters for aluminum, silicon, titanium and zirconium

Journal of Molecular Modeling

Volumn 11, Issue 6, 2005, Pages 439-456

  Winget, Paul ^a   Clark, Timothy ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Aluminum; AM1*; Parameterization; Semiempirical MO theory; Silicon; Titanium; Zirconium

Indexed keywords

ALUMINUM; CARBON; CHLORINE; ELEMENT; FLUORINE; HYDROGEN; MOLYBDENUM; NITROGEN; OXYGEN; PHOSPHORUS; SILICON; SULFUR; TITANIUM; ZIRCONIUM; ION;

ACCURACY; ANALYTIC METHOD; ANALYTICAL ERROR; ANALYTICAL PARAMETERS; ARTICLE; CHEMICAL BOND; CONTROLLED STUDY; DISSOCIATION; ENERGY; EXPERIMENTAL DESIGN; HEAT; MOLECULAR BIOLOGY; PRIORITY JOURNAL; REACTION ANALYSIS; CHEMICAL MODEL; CHEMISTRY;

ALUMINUM; HEAT; IONS; MODELS, CHEMICAL; SILICON; TITANIUM; ZIRCONIUM;

EID: 29244479582     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-005-0236-y     Document Type: Article

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