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5. Ab initio NMR chemical shift calculations using fragment molecular orbitals

Ab initio NMR chemical shift calculations using fragment molecular orbitals

来源 :The International Conference on Theory and Applications of C | 被引量 : 0次 | 上传用户：xiazaisun

【作 者】

：

Satoshi Yokoiima Shinichiro Nakamura Qi Gao Jun-Wei Shen Toshiyuki Kohno Toyokazu Ishida Dmitri G.Fedorov Kazuo Kitaura Minoru Sakurai Masamichi Fujihira 

【机 构】

：

Mitsubishi Chemical Group Science and Technology Research Center,Inc.,1000 Kamoshida-cho,Aoba-ku,Yok

【出 处】

：

The International Conference on Theory and Applications of C

【发表日期】

：

2008年1期

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