Development of a new density functional program for all-electron calculation of proteins

International Journal of Quantum Chemistry

Volumn 63, Issue 1, 1997, Pages 245-256

  Sato, Fumitoshi ^a   Shigemitsu, Yasuhiro ^a   Okazaki, Isao ^a   Yahiro, Shuuichi ^a   Fukue, Masahiro ^a   Kozuru, Shingo ^a   Kashiwagi, Hiroshi ^a  

^a KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Density functional theory; GUI; Molecular orbital; Object oriented; Proteins

Indexed keywords

EID: 0012914527     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)63:1<245::AID-QUA26>3.0.CO;2-9     Document Type: Article

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