Results 251 to 260 of about 13,754,171 (302)

THE BIFURCATION DIAGRAM OF MODEL CHEMICAL REACTIONS

Annals of the New York Academy of Sciences, 1979
Some general principles underlying pattern formation and the onset of temporal oscillations in reaction/diffusion systems can be derived from the detailed bifurcation analysis of nonlinear differential equations of the form: $$\begin{array}{l} \frac{\partial }{{{\partial _t}}}{X_i} = {F_i}({X_i},{X_i},...{X_n};\lambda ) + {D_i}\Delta {X_i} \\ 1 \le
Kaufman, Marcelle, Erneux, Thomas
openaire   +2 more sources

MODELING SHOCK-INDUCED CHEMICAL REACTIONS

International Journal of Computational Engineering Science, 2000
A computational method is presented for modeling shock-induced chemical reactions (SICR) in multi-material solid powder mixtures. The reacting materials are assumed to be imiscible, which limits the location of the chemical reaction to the material interface between the reactants.
Ian P. H. Do, David J. Benson 0002
openaire   +2 more sources

A Lagrangian dispersion model with chemical reactions

International Journal of Environment and Pollution, 2011
A Lagrangian stochastic (single particle) model is modified in order to account for simple chemistry reactions and tested against measured wind tunnel data. These data refers to a reactive plume generated by a single point source of NO inside a turbulent grid flow doped with ozone.
Alessandrini S, FERRERO, Enrico, Belfiore G.   +2 more
openaire   +3 more sources

On stochastic models of chemical reactions

Chemical Physics, 2021
Abstract In this short communication we study stochastic simulation algorithms (SSA) for chemical reactions; more specifically, we consider d species with m possible random changes and two procedures: the Chemical Calgevin Method and the general method from E. Allen.
openaire   +1 more source

Modeling chemical reactions for drug design

Journal of Computer-Aided Molecular Design, 2007
Chemical reactions are involved at many stages of the drug design process. This starts with the analysis of biochemical pathways that are controlled by enzymes that might be downregulated in certain diseases. In the lead discovery and lead optimization process compounds have to be synthesized in order to test them for their biological activity.
openaire   +2 more sources

Synthesis and Reactions of a Chemical Model of the Urocanase Reaction

Chemistry – A European Journal, 1997
AbstractUsing a convergent synthetic strategy starting from nicotinic acid and imidazole, we have prepared the (E) and (Z) isomers of 1‐benzyl‐3‐carbamoyl‐5‐[2‐(ethoxycarbonylmethylene)‐2‐(1‐(p‐to‐lylsulfamoyl)imidazol‐4‐yl)ethyl]pyridinium bromide (21) as models of the urocanase reaction.
Winter, Joachim, Retey, Janos
openaire   +1 more source

Models for the representation of knowledge about chemical reactions

Journal of Chemical Information and Computer Sciences, 1990
Systems for the prediction of organic reactions and the simulation of mass spectra are presented. In addition, methods and systems for the automatic knowledge acquisition for such systems are highlighted.
Johann Gasteiger, Mario Marsili, M. G. Hutchings, Heinz Saller, Peter Loew, P. Roese, K. Rafeiner   +6 more
openaire   +2 more sources

A self-organized chemical model and reaction cascade

Journal of Theoretical Biology, 1988
Some reaction cascades in biological systems are analyzed by a self-organized chemical model, an autocatalytic reaction. This model is described by the coupling of a primary system which stabilizes the initial stage of the reaction rapidly and a partial system which controls the primary system slowly. By the internal force caused by a trigger above the
T, Tokimoto, K, Shirane
openaire   +2 more sources

Approaches to modeling chemical reaction pathways in radiobiology

International Journal of Radiation Biology, 2022
Recent interest in understanding effects of high dose-rate ('FLASH') radiobiology has prompted a number of groups to model the chemical reactions that might be involved, either to estimate radiolytic oxygen consumption in tissues, or the yields and persistence of specific reactive intermediates or products.
openaire   +2 more sources

Nucleation theory for a model bistable chemical reaction

Journal of Statistical Physics, 1988
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Borgis, D., Moreau, M.
openaire   +1 more source