All-electron density functional calculation on insulin with quasi-canonical localized orbitals - researchr publication

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Toru Inaba, Saisei Tahara, Nobutaka Nisikawa, Hiroshi Kashiwagi, Fumitoshi Sato. All-electron density functional calculation on insulin with quasi-canonical localized orbitals. Journal of Computational Chemistry, 26(10):987-993, 2005. [doi]

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