Modeling the kinetics of bimolecular reactions

A Fernández-Ramos, JA Miller, SJ Klippenstein… - Chemical …, 2006 - ACS Publications
This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …

Gas-phase infrared multiple photon dissociation spectroscopy of mass-selected molecular ions

J Oomens, BG Sartakov, G Meijer… - International Journal of …, 2006 - Elsevier
In this review, we present an overview of our recent work on the infrared spectroscopy of
mass-selected gas-phase molecular ions. The ions are stored and isolated in a quadrupole …

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 …

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 …

Infrared emission from interstellar dust. I. Stochastic heating of small grains

BT Draine, A Li - The Astrophysical Journal, 2001 - iopscience.iop.org
We present a method for calculating the infrared emission from a population of dust grains
heated by starlight, including very small grains for which stochastic heating by starlight …

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 …

Chemical kinetics of cyclic ethers in combustion

LS Tran, O Herbinet, HH Carstensen… - Progress in Energy and …, 2022 - Elsevier
Abstract Cyclic Ethers (CEs) belong to a class of compounds of importance to understand
the chemistry of both the engine auto-ignition of hydrocarbon fuels and the combustion of …

Theory of thermal unimolecular reactions at low pressures. II. Strong collision rate constants. Applications

J Troe - The Journal of Chemical Physics, 1977 - pubs.aip.org
Theoretical expressions for the strong collision rate constants of thermal unimolecular
reactions at low pressures k 0sc are discussed. The rate constant is split up into various …

Statistical modeling of collision-induced dissociation thresholds

MT Rodgers, KM Ervin, PB Armentrout - The Journal of chemical …, 1997 - pubs.aip.org
Analysis of the energy dependence of the cross sections for collision-induced dissociation
reactions has permitted the determination of quantitative thermodynamic information for a …

Theoretical chemical kinetics in tropospheric chemistry: methodologies and applications

L Vereecken, DR Glowacki, MJ Pilling - Chemical reviews, 2015 - ACS Publications
Chemical kinetics is central in much of tropospheric chemistry and in modeling tropospheric
chemical processes. Chemical reaction rate coefficients and product yields have traditionally …