Fragment molecular orbital method: Analytical energy gradients.

KITAURA K; SUGIKI S; NAKANO T; KOMEIJI Y; UEBAYASI M

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J-GLOBAL ID：200902131476191431 Reference number：01A0528751

Fragment molecular orbital method: Analytical energy gradients.

フラグメント分子軌道法解析的エネルギー勾配

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Volume： 336 Issue： 1/2 Page： 163-170 Publication year： Mar. 09, 2001
JST Material Number： B0824A ISSN： 0009-2614 Document type： Article
Article type：短報 Country of issue： Netherlands (NLD) Language： ENGLISH (EN)

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Macromolecules and polymer molecule molecules

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