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

• Yoshiyuki Koyano

• Norio Takenaka

• Yukinori Nakagawa

Bibliographic Information

Other 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

Journal

• Bulletin of the Chemical Society of Japan

  Bulletin of the Chemical Society of Japan 83 (5), 486-494, 2010-05

  Tokyo : Chemical Society of Japan

Details

• CRID: 1521699228473352960
• NII Article ID: 10027174198
• NII Book ID: AA00580132
• ISSN: 00092673
• NDL BIB ID: 10667397
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I10667397
• Text Lang: en
• NDL Source Classification:
  • ZP1(科学技術--化学・化学工業)
• Data Source:
  • NDL
  • CiNii Articles