| Literature DB >> 26980305 |
Dong H Zhang1,2, Hua Guo3.
Abstract
In this review, we survey the latest advances in theoretical understanding of bimolecular reaction dynamics in the past decade. The remarkable recent progress in this field has been driven by more accurate and efficient ab initio electronic structure theory, effective potential-energy surface fitting techniques, and novel quantum scattering algorithms. Quantum mechanical characterization of bimolecular reactions continues to uncover interesting dynamical phenomena in atom-diatom reactions and beyond, reaching an unprecedented level of sophistication. In tandem with experimental explorations, these theoretical developments have greatly advanced our understanding of key issues in reaction dynamics, such as microscopic reaction mechanisms, mode specificity, product energy disposal, influence of reactive resonances, and nonadiabatic effects.Keywords: differential cross sections; mode specificity; neural networks; nonadiabatic effects; permutation invariant polynomials; potential-energy surface; product energy disposal; reactive scattering; resonances
Year: 2016 PMID: 26980305 DOI: 10.1146/annurev-physchem-040215-112016
Source DB: PubMed Journal: Annu Rev Phys Chem ISSN: 0066-426X Impact factor: 12.703