AB Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map

By: Tsutsumi, Takuro

This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab... This description may be from another edition of this product.

• Format: Hardcover
• Language: English
• ISBN: 9819973201
• ISBN13: 9789819973200
• Release Date: November 2023
• Publisher: Springer
• Length: 115 Pages
• Weight: 0.80 lbs.
• Dimensions: 0.4" x 6.1" x 9.2"