Chemical reaction dynamics with molecular beams

P Casavecchia - Reports on Progress in Physics, 2000 - iopscience.iop.org
This review describes advances which have occurred during the past decade in chemical
reaction dynamics using crossed molecular beams. After a brief historical introduction …

Crossed-beam studies of reaction dynamics

P Casavecchia, N Balucani… - Annual review of physical …, 1999 - annualreviews.org
▪ Abstract This article reviews recent progress in our understanding of gas-phase neutral
reaction dynamics as made possible by improvements in the crossed molecular beam …

Resonance-Mediated Chemical Reaction:

RT Skodje, D Skouteris, DE Manolopoulos, SH Lee… - Physical Review Letters, 2000 - APS
Conclusive evidence is presented for the existence of a reactive resonance in the F+ HD
reaction. In a molecular beam experiment, the resonance appears in the integral cross …

Observation of a transition state resonance in the integral cross section of the reaction

RT Skodje, D Skouteris, DE Manolopoulos… - The Journal of …, 2000 - pubs.aip.org
We have studied the reaction F+ HD at low collision energies using a combination of
experimental and theoretical methods. Clear evidence for a reactive resonance is found in …

Calculations of the F+ HD reaction on three potential energy surfaces

TX Xie, Y Zhang, MY Zhao, KL Han - Physical Chemistry Chemical …, 2003 - pubs.rsc.org
In this paper, the three-dimensional time-dependent quantum wave packet calculation has
been employed to study the non-adiabatic reaction dynamics of F+ HD on three …

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 …

Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time …

S Ghosh, S Mukherjee, B Mukherjee… - The Journal of …, 2017 - pubs.aip.org
The workability of beyond Born-Oppenheimer theory to construct diabatic potential energy
surfaces (PESs) of a charge transfer atom-diatom collision process has been explored by …

Reactive excitation functions for F+ p-H2/n-H2/D2 and the vibrational branching for F+ HD

F Dong, SH Lee, K Liu - The Journal of Chemical Physics, 2000 - pubs.aip.org
Complementary to our recent report on the FHD reaction, the reactive excitation functions for
the other isotopomers are presented. Through analysis of the differential cross section data …

Quantum-instanton evaluation of the kinetic isotope effects

J Vaníček, WH Miller, JF Castillo… - The Journal of chemical …, 2005 - pubs.aip.org
A general quantum-mechanical method for computing kinetic isotope effects is presented.
The method is based on the quantum-instanton approximation for the rate constant and on …

Charge Transfer Processes for H + H2+ Reaction Employing Coupled 3D Wavepacket Approach on Beyond Born–Oppenheimer Based Ab Initio Constructed …

S Ghosh, T Sahoo, M Baer… - The Journal of Physical …, 2021 - ACS Publications
The dynamics of the H+ H2+ reaction has been analyzed from the electronically first excited
state of diabatic potential energy surfaces constructed by employing the Beyond Born …