Chemical reaction

About: Chemical reaction is a research topic. Over the lifetime, 21619 publications have been published within this topic receiving 506166 citations. The topic is also known as: reaction & rxn..

Critical Review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals (⋅OH/⋅O− in Aqueous Solution

Abstract: Kinetic data for the radicals H⋅ and ⋅OH in aqueous solution,and the corresponding radical anions, ⋅O− and eaq−, have been critically pulse radiolysis, flash photolysis and other methods. Rate constants for over 3500 reaction are tabulated, including reaction with molecules, ions and other radicals derived from inorganic and organic solutes.

Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

Abstract: A general method for detailed study of enzymic reactions is presented. The method considers the complete enzyme-substrate complex together with the surrounding solvent and evaluates all the different quantum mechanical and classical energy factors that can affect the reaction pathway. These factors include the quantum mechanical energies associated with bond cleavage and charge redistribution of the substrate and the classical energies of steric and electrostatic interactions between the substrate and the enzyme. The electrostatic polarization of the enzyme atoms and the orientation of the dipoles of the surrounding water molecules is simulated by a microscopic dielectric model. The solvation energy resulting from this polarization is considerable and must be included in any realistic calculation of chemical reactions involving anything more than an isolated molecule in vacuo . Without it, acidic groups can never become ionized and the charge distribution on the substrate will not be reasonable. The same dielectric model can also be used to study the reaction of the substrate in solution. In this way the reaction in solution can be compared with the enzymic reaction. In this paper we study the stability of the carbonium ion intermediate formed in the cleavage of a glycosidic bond by lysozyme. It is found that electrostatic stabilization is an important factor in increasing the rate of the reaction step that leads to the formation of the carbonium ion intermediate. Steric factors, such as the strain of the substrate on binding to lysozyme, do not seem to contribute significantly.

Chemical kinetics and photochemical data for use in stratospheric modeling

Abstract: As part of a series of evaluated sets, rate constants and photochemical cross sections compiled by the NASA Panel for Data Evaluation are provided. The primary application of the data is in the modeling of stratospheric processes, with particular emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena. Copies of this evaluation are available from the Jet Propulsion Laboratory.

Chemical Reactor Analysis and Design

Abstract: CHEMICAL ENGINEERING KINETICS Elements of Reaction Kinetics Kinetics of Heterogeneous Catalytic Reactions Transport Processes with Reactions Catalyzed by Solids Noncatalytic Gas-Solid Reactions Catalyst Deactivation Gas-Liquid Reactions ANALYSIS AND DESIGN OF CHEMICAL REACTORS The Fundamental Mass, Energy, and Momentum Balance Equations The Batch and Semibatch Reactors The Plug Flow Reactor The Perfectly Mixed Flow Reactor Fixed Bed Catalytic Reactors Nonideal Flow Patterns and Population Balance Models Fluidized Bed and Transport Reactors Multiphase Flow Reactors Author Index Subject Index.

Frontier Orbitals and Organic Chemical Reactions

Abstract: Molecular Orbitals and Frontier Orbitals. Ionic Reactions. Thermal Pericyclic Reactions. Radical Reactions. Photochemical Reactions. Exceptions.