A new ab initio potential energy surface of LiClH (1A′) system and quantum dynamics calculation for Li + HCl (v = 0, j = 0–2) → LiCl + H reaction
Author:
Affiliation:
1. School of Physics, Shandong University, Jinan 250100, China
2. School of Information Science and Engineering, Shandong Agricultural University, Taian 27101, China
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4982066
Reference76 articles.
1. Ab initio ground PES and QCT study of the influence of molecular alignment and vibrational excitation on the K + HF → KF + H reactionPresented at the Stereodynamics 2000 Conference on Dynamics and Stereodynamics of Chemical Reactions, El Escorial, Madrid, December 1–5, 2000.
2. Calculated vs measured scattering and kinetic data for the Li+HCl reaction
3. Reactions between Li Atoms and HX (X = F, Cl) Molecules: Semiempirical SCF MO and Matrix Isolation ESR Studies
4. Li + HCl RIOSA cross section calculations on parallel computers
5. A potential energy surface for the Li+HCl reaction
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