1 College of Physics and Materials Science, Henan Normal University, Xinxiang 453007, China;
2 Spectral Measurement and Application of Infrared Material Key Laboratory of Henan Province, Academy of Physics and Materials Science, Henan Normal University, Xinxiang 453007, China;
3 State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
A time-dependent quantum wave packet method is used to investigate the dynamics of the Li+ H(D)Cl reaction based on a new potential energy surface (J. Chem. Phys.146 164305 (2017)). The reaction probabilities of the Coriolis coupled (CC) and centrifugal sudden (CS) calculations, the integral cross sections, the reaction rate constants are obtained. The rate constants of the Li+ HCl reaction are within the error bounds at low temperature. A comparison of the CC and CS results reveals that the Coriolis coupling plays an important role in the Li+ H(D)Cl reaction. The CC cross sections are larger than the CS results within the entire energy range, demonstrating that the Coriolis coupling effect can more effectively promote the Li+ DCl reaction than the Li+ HCl reaction. It is found that the isotope effect has a great influence on the title reaction.
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
