Climbing end image algorithm to locate transition states

• Asada, Toshio

• Sawada, Nozomi

• Haruta, Mamoru

• Koseki, Shiro

抄録

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Chemical Physics Letters. 2021, 775, P.138658

収録刊行物

• Chemical Physics Letters

  Chemical Physics Letters 775 138658-, 2021-07-16

  Elsevier

キーワード

• Climbing end image algorithm
• Nudged elastic band
• Transition state optimization
• Witting reaction

詳細情報

• CRID: 1050574201776585728
• NII論文ID: 120007044345
• ISSN: 00092614
• DOI: 10.1016/j.cplett.2021.138658
• HANDLE: 10466/00017403
• Web Site: https://omu.repo.nii.ac.jp/records/12304
• Web Site: https://api.elsevier.com/content/article/PII:S0009261421003419?httpAccept=text/xml
• Web Site: https://api.elsevier.com/content/article/PII:S0009261421003419?httpAccept=text/plain
• 本文言語コード: en
• 資料種別: journal article
• データソース種別:
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