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

• المؤلفون الرئيسيون: Song, Hongwei, Lee, Soo-Ying, Lu, Yunpeng, Guo, Hua
• مؤلفون آخرون: School of Physical and Mathematical Sciences
• التنسيق: مقال
• اللغة: English
• منشور في: 2016
• الموضوعات: Vector projection; Isotopes
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/81534; http://hdl.handle.net/10220/39601

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...