Mode-specific quantum dynamics study of OH+H₂S → H₂O+SH reaction

• Main Authors: Xiang, Haipan, Lu, Yunpeng, Song, Hongwei, Yang, Minghui
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2022
• Subjects: Science::Chemistry; Mode Specificity; Quantum Dynamics
• Online Access: https://hdl.handle.net/10356/161479
• Institution: Nanyang Technological University

The hydrogen abstraction reaction from H2S by OH is of key importance in understanding of the causes of acid rain, air pollution, and climate change. In this work, the reaction OH+H2S → H2O+SH is investigated on a recently developed ab initio-based globally accurate potential energy surface by the t...