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 …

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 …

Direct chemical dynamics simulations

S Pratihar, X Ma, Z Homayoon… - Journal of the …, 2017 - ACS Publications
In a direct dynamics simulation, the technologies of chemical dynamics and electronic
structure theory are coupled so that the potential energy, gradient, and Hessian required …

CROSSED-BEAM STUDIES OF NEUTRAL REACTIONS: State-Specific Differential Cross Sections

K Liu - Annual Review of Physical Chemistry, 2001 - annualreviews.org
▪ Abstract Crossed-molecular-beam and laser techniques have enabled experimentalists to
measure the state-resolved differential cross sections of elementary chemical reactions. This …

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 …

Direct chemical dynamics simulations: coupling of classical and quasiclassical trajectories with electronic structure theory

M Paranjothy, R Sun, Y Zhuang… - Wiley Interdisciplinary …, 2013 - Wiley Online Library
In classical and quasiclassical trajectory chemical dynamics simulations, the atomistic
dynamics of collisions, chemical reactions, and energy transfer are studied by solving the …

Quantum theory of bimolecular chemical reactions

G Nyman, HG Yu - Reports on Progress in Physics, 2000 - iopscience.iop.org
In this review we discuss quantum dynamically based theoretical methods for studying
bimolecular gas phase chemical reactions. The scope is largely limited to reactions …

Classical dynamics of chemical reactions in a quantum spirit

L Bonnet - International Reviews in Physical Chemistry, 2013 - Taylor & Francis
Molecular beam experiments provide fascinating data on how atoms move in the course of
chemical reactions. In order to theoretically reproduce these data at relatively low …

[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 …

The H+H2 reactive system. Progress in the study of the dynamics of the simplest reaction

FJ Aoiz*, L Bañares, VJ Herrero - International Reviews in Physical …, 2005 - Taylor & Francis
Progress in the understanding of the H+ H2 reaction and its isotopic variants is reviewed
with special attention to the achievements of the last decade. The detailed agreement …