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 …

Crossed molecular beam reactive scattering: from simple triatomic to multichannel polyatomic reactions

N Balucani, G Capozza, F Leonori… - … Reviews in Physical …, 2006 - Taylor & Francis
In our laboratory a recent series of experiments by means of the crossed molecular beam
(CMB) scattering technique with mass-spectrometric detection and time-of-flight analysis has …

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 …

Probing the dynamics of polyatomic multichannel elementary reactions by crossed molecular beam experiments with soft electron-ionization mass spectrometric …

P Casavecchia, F Leonori, N Balucani… - Physical Chemistry …, 2009 - pubs.rsc.org
In this Perspective we highlight developments in the field of chemical reaction dynamics.
Focus is on the advances recently made in the investigation of the dynamics of elementary …

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 …

A study of the reaction: Global potential energy surface and quantum dynamics

B Bussery-Honvault, P Honvault… - The Journal of Chemical …, 2001 - pubs.aip.org
The adiabatic global potential energy surface of the CH 2 system for the first singlet state of
A′ symmetry (ã 1 A′) has been computed. Ab initio, multireference, single and double …

Quantum wave packet study of reactive and inelastic scattering between and

SY Lin, H Guo - The Journal of chemical physics, 2003 - pubs.aip.org
Using a wave packet method, state-to-state inelastic transition probabilities and initial state
specified total reaction probabilities are calculated for the title system (J= 0) on a recent ab …

Quantum Effects in the Differential Cross Sections for the Insertion Reaction

N Balucani, L Cartechini, G Capozza, E Segoloni… - Physical review …, 2002 - APS
The quantum (QM) scattering theory has been difficult to apply to the family of insertion
reactions and the approximate quasiclassical trajectory (QCT) method or statistical …

Dynamics of Insertion Reactions of H2 Molecules with Excited Atoms

FJ Aoiz, L Bañares, VJ Herrero - The Journal of Physical …, 2006 - ACS Publications
Recent progress in the study of insertion reactions of hydrogen molecules with excited
atoms is reviewed in this article. In particular, the dynamics of the reaction of O (1 D), N (2 D) …