A new program for effective one-electron (EHMO - ASED) calculations

Computers and Chemistry

Volumn 21, Issue 5, 1997, Pages 319-325

  Tasi, Gyula ^a,b   Mizukami, Fujio ^b   Pálinkó, István ^a  

^a UNIVERSITY OF SZEGED   (Hungary)

^b NATL INST OF MAT AND CHEM RES   (Japan)

Author keywords

Ab initio calculations; Aliphatic alkane molecules; AM1 results; Effective one electron models; EHMO ASED methods; FORTRAN programs

Indexed keywords

EID: 11344269542     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(97)00004-1     Document Type: Article

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