Quantum scattering calculations on chemical reactions

SC Althorpe, DC Clary - Annual review of physical chemistry, 2003 - annualreviews.org
▪ Abstract This review discusses recent quantum scattering calculations on bimolecular
chemical reactions in the gas phase. This theory provides detailed and accurate predictions …

Quantum dynamics of complex-forming bimolecular reactions

H Guo - International Reviews in Physical Chemistry, 2012 - Taylor & Francis
Many gas-phase chemical reactions proceed via reaction intermediates, supported by
potential wells. The characteristics of such complex-forming reactions differ drastically from …

Imaging the dynamics of gas phase reactions

MNR Ashfold, NH Nahler, AJ Orr-Ewing… - Physical Chemistry …, 2006 - pubs.rsc.org
Ion imaging methods are making ever greater impact on studies of gas phase molecular
reaction dynamics. This article traces the evolution of the technique, highlights some of the …

A rigorous test of the statistical model for atom–diatom insertion reactions

EJ Rackham, T Gonzalez-Lezana… - The Journal of chemical …, 2003 - pubs.aip.org
The statistical model of atom–diatom insertion reactions is combined with coupled-channel
capture theory and used to calculate differential cross sections for the reactions of C (1 D), N …

Quantum mechanical and quasi-classical trajectory study of the reaction dynamics

L Banares, FJ Aoiz, P Honvault… - The Journal of …, 2003 - pubs.aip.org
The reaction between carbon atoms in their 1D electronically excited state and hydrogen
molecules belongs to the class of insertion reactions, such as O (1D) H2 and N (2D) H2 …

Untangling the chemical evolution of Titan's atmosphere and surface–from homogeneous to heterogeneous chemistry

RI Kaiser, P Maksyutenko, C Ennis, F Zhang… - Faraday …, 2010 - pubs.rsc.org
In this article, we first explored the chemical dynamics of simple diatomic radicals (dicarbon,
methylidyne) utilizing the crossed molecular beams method. This versatile experimental …

Theories of reactive scattering

W Hu, GC Schatz - The Journal of chemical physics, 2006 - pubs.aip.org
This paper is an overview of the theory of reactive scattering, with emphasis on fully
quantum mechanical theories that have been developed to describe simple chemical …

[图书][B] Tutorials in molecular reaction dynamics

M Brouard, C Vallance - 2015 - books.google.com
The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters
are all written by internationally recognised researchers and, from the outset, the …

Statistical quantum studies on insertion atom–diatom reactions

T González-Lezana - International Reviews in Physical Chemistry, 2007 - Taylor & Francis
The study of insertion atom–diatom reactions is usually complicated by the existence of
deep potential wells between reactants and products. The large number of bound and …

State-to-state dynamics of elementary bimolecular reactions

X Yang - Annu. Rev. Phys. Chem., 2007 - annualreviews.org
The study of state-to-state dynamics of elementary bimolecular reactions has provided
remarkable insights into chemical reactivity at the most fundamental level. This review …