Kinetics of elementary reactions in low-temperature autoignition chemistry
Advanced low-temperature combustion concepts that rely on compression ignition have
placed new technological demands on the modeling of low-temperature oxidation in general …
placed new technological demands on the modeling of low-temperature oxidation in general …
Modeling the kinetics of bimolecular reactions
This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …
Current status of transition-state theory
DG Truhlar, BC Garrett… - The Journal of physical …, 1996 - ACS Publications
We present an overview of the current status of transition-state theory and its
generalizations. We emphasize (i) recent improvements in available methodology for …
generalizations. We emphasize (i) recent improvements in available methodology for …
Current status of transition-state theory
DG Truhlar, WL Hase, JT Hynes - The Journal of Physical …, 1983 - ACS Publications
We review the current status of transition-state theory. We focus on the validity of its basic
assumptions and of corrections to and improvements of conventional transition-state theory …
assumptions and of corrections to and improvements of conventional transition-state theory …
[图书][B] Photodissociation dynamics: spectroscopy and fragmentation of small polyatomic molecules
R Schinke - 1995 - books.google.com
Photodissociation induced by the absorption of single photons permits the detailed study of
molecular dynamics such as the breaking of bonds, internal energy transfer and …
molecular dynamics such as the breaking of bonds, internal energy transfer and …
Theory of thermal unimolecular reactions at low pressures. I. Solutions of the master equation
J Troe - The Journal of Chemical Physics, 1977 - pubs.aip.org
The master equation for a thermal unimolecular reaction in gases at low pressures is
formulated. Steady‐state solutions are derived in analytical form with an exponential model …
formulated. Steady‐state solutions are derived in analytical form with an exponential model …
Multiple‐Well, multiple‐path unimolecular reaction systems. I. MultiWell computer program suite
JR Barker - International Journal of Chemical Kinetics, 2001 - Wiley Online Library
Unimolecular reaction systems in which multiple isomers undergo simultaneous reactions
via multiple decomposition reactions and multiple isomerization reactions are of …
via multiple decomposition reactions and multiple isomerization reactions are of …
Criterion of minimum state density in the transition state theory of bimolecular reactions
BC Garrett, DG Truhlar - The Journal of Chemical Physics, 1979 - pubs.aip.org
We discuss two minimum‐density‐of‐states criteria for the location of generalized transition
states for chemical reactions. One is due to Bunker and Pattengill; the other is due to Wong …
states for chemical reactions. One is due to Bunker and Pattengill; the other is due to Wong …
Theory of thermal unimolecular reactions in the fall‐off range. II. Weak collision rate constants
RG Gilbert, K Luther, J Troe - Berichte der Bunsengesellschaft …, 1983 - Wiley Online Library
The master equation of thermal unimolecular reactions in the fall‐off range has been solved
for a number of representative molecular systems. Weak collision broadening factors FWC …
for a number of representative molecular systems. Weak collision broadening factors FWC …
Predictive possibilities of unimolecular rate theory
J Troe - Journal of Physical Chemistry, 1979 - ACS Publications
This paper describes the calculationof rate constants for thermal unimolecular reactions and
recombinations at the lowpressure limit, at the high pressure limit, and in the intermediate …
recombinations at the lowpressure limit, at the high pressure limit, and in the intermediate …