Ab initio molecular dynamics analysis based on reduced-dimensionality reaction route map

• Material Type: 図書
• ISBN: 9789819973200; 9819973201; 9789819973217 (electronic bk.); 981997321X (electronic bk.)
• ISSN (series): 2190-5053
• Title: Ab initio molecular dynamics analysis based on reduced-dimensionality reaction route map
• Author/Editor: Takuro Tsutsumi
• Series Title: Springer theses
• Author Heading: Tsutsumi, Takuro [堤拓朗]
• Publication, Distribution, etc.: Singapore : Springer (出版)
• Publication Date: [2023]
• Publication Date (W3CDTF): 2023
• Extent: xv, 115 pages
• Other physical details: illustrations (some color)
• Size: 24 cm
• Place of Publication (Country Code): SG
• Text Language Code: eng
• Content Type: text
• Media Type: unmediated
• Carrier Type: volume
• Subject Heading: Molecular dynamics; Dynamique moléculaire
• LCC: QD461
• DDC: 541/.394
• NDLC: PA41
• Target Audience: 一般
• Note (General): "Doctoral thesis accepted by Hokkaido University, Sapporo, Japan"
• Note (Bibliography): Includes bibliographical references
• Collection (particular): 日本関係外国語図書
• Holding library: 国立国会図書館
• Call No.: PA41-D5
• Related Material (DOI): 10.1007/978-981-99-7321-7
• Data Provider (Database): 国立国会図書館 : 国立国会図書館蔵書; https://ndlsearch.ndl.go.jp
• Bibliographic ID (NDL): 033137860; http://id.ndl.go.jp/bib/033137860
• Cataloging Rule: RDA
• Bibliographic Record Category (NDL): 211

• Contents: General IntroductionAnalysis of On-the-fly Trajectory based on Reaction Route Network3. Visualization of Unique Reaction Route Map by Dimensionality R...
• Summary, etc.: This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms...