RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

Journal of Computational Chemistry

Volumn 27, Issue 10, 2006, Pages 1101-1111

  Rocha, Gerd B ^a   Freire, Ricardo O ^a   Simas, Alfredo M ^a   Stewart, James J P ^b  

^a DEPARTAMENTO DE QUÍMICA FUNDAMENTAL   (Brazil)

^b Stewart Computational Chemistry   (United States)

Author keywords

AM1; PM3; PM5; RM1; Semiempirical methods

Indexed keywords

AM1; PM3; PM5; RM1; SEMIEMPIRICAL METHODS;

BIOCHEMISTRY; COMPUTATIONAL METHODS; ERRORS; IONIZATION; MOLECULAR STRUCTURE; QUANTUM THEORY;

PARAMETER ESTIMATION;

ELEMENT; ION;

ARTICLE; CHEMICAL MODEL; CHEMISTRY;

ELEMENTS; IONS; MODELS, CHEMICAL;

EID: 33745597056     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20425     Document Type: Article

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