A New Approach to Vibrational Analysis of Large Molecules by Density Functional Theory: Wavenumber-Linear Scaling Method.

YOSHIDA H; TAKEDA K; OKAMURA J; EHARA A; MATSUURA H

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J-GLOBAL ID：200902182449922193 Reference number：02A0385431

A New Approach to Vibrational Analysis of Large Molecules by Density Functional Theory: Wavenumber-Linear Scaling Method.

密度汎関数理論による大きな分子の振動解析への新しい方法波数線形スケーリング法

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Material：
Volume： 106 Issue： 14 Page： 3580-3586 Publication year： Apr. 11, 2002
JST Material Number： C0334B ISSN： 1089-5639 CODEN： JPCAFH Document type： Article
Article type：原著論文 Country of issue： United States (USA) Language： ENGLISH (EN)

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Properties of molecules in general , Physical chemistry in general

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