On the importance of Lennard-Jones parameter calibration in QM/MM framework: reaction path tracing via free energy gradient method for ammonia ionization process in aqueous solution

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Material Type: 記事
Title: On the importance of Lennard-Jones parameter calibration in QM/MM framework: reaction path tracing via free energy gradient method for ammonia ionization process in aqueous solution
Author/Editor: Yoshiyuki Koyano
Norio Takenaka
Yukinori Nakagawa 他
Author Heading: Yoshiyuki Koyano
Norio Takenaka
Yukinori Nakagawa
Periodical title: Bulletin of the Chemical Society of Japan
No. or year of volume/issue: 83(5) 2010.5
Volume: 83
Issue: 5
Pages: 486～494
Publication date of volume/issue (W3CDTF): 2010-05
ISSN (Periodical Title): 0009-2673
ISSN-L (Periodical Title): 0009-2673
Publication (Periodical Title): Tokyo : Chemical Society of Japan
Place of Publication (Country Code): JP
Text Language Code: eng
NDLC: ZP1
Target Audience: 一般
Holding library: 国立国会図書館
Call No.: Z53-B35
Data Provider (Database): 国立国会図書館 : 国立国会図書館雑誌記事索引
https://ndlsearch.ndl.go.jp
Bibliographic ID (NDL): 10667397
http://id.ndl.go.jp/bib/10667397
Bibliographic Record Category (NDL): 632