Full-Dimensional Quantum Dynamical Studies of the Cl + HOD → HCl/DCl + OD/OH Reaction: Bond Selectivity and Isotopic Branching Ratio

• Main Authors: Song, Hongwei, Lee, Soo-Ying, Lu, Yunpeng, Guo, Hua
• 其他作者: School of Physical and Mathematical Sciences
• 格式: Article
• 語言: English
• 出版: 2016
• 主題: Vector projection; Isotopes
• 在線閱讀: https://hdl.handle.net/10356/81534; http://hdl.handle.net/10220/39601
• 機構: Nanyang Technological University

Full-dimensional quantum dynamical calculations are carried out to study the mode specificity, bond selectivity, and isotopic branching ratio of the Cl + HOD reaction on an accurate global potential energy surface. Total reaction cross sections have been computed for several low-lying vibrational st...