Fragment Molecular Orbital Based Parametrization Procedure for Mesoscopic Structure Prediction of Polymeric Materials
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- Koji Okuwaki
- Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
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- Yuji Mochizuki
- Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
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- Hideo Doi
- Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
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- Taku Ozawa
- JSOL Corporation, 2-5-24 Harumi, Chuo-ku, Tokyo 104-0053, Japan
収録刊行物
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- The Journal of Physical Chemistry B
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The Journal of Physical Chemistry B 122 (1), 338-347, 2017-12-29
American Chemical Society (ACS)