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ArticleJ-GLOBAL ID:200902015688680670整理番号:81A0135216

Energy gradient with the effective core potential approximation in the ab initio MO method and its application to the structure of Pt(H)2(PH3)2.

Ab initio MO法における有効コアポテンシャル近似エネルギーこう配法とそのPt(H)2(PH3)2構造解析への応用

著者:KITAURA K(Inst. Molecular Science, Okazaki)、OBARA S(Inst. Molecular Science, Okazaki)、MOROKUMA K(Inst. Molecular Science, Okazaki)
資料名:Chem Phys Lett 巻:77 号:3 ページ:452-454
発行年:1981年02月01日
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