494 citations · 2.8k across the 66 of their papers we have counts for
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Links, Knots and Knotted Labyrinths in Bistable Systems
Anatoly Malevanets, Raymond Kapral
The existence of stable links and knots is demonstrated in three-dimensional, bistable, chemical media. The reaction-diffusion medium segregates into regions of high and low concen…
Surface Structure and Catalytic Oxidation Oscillations
R. Danielak, A. Perera, M. Moreau +2
A cellular automaton model is used to describe the dynamics of the catalytic oxidation of on a surface. The cellular automaton rules account for the structural phase…
Spatiotemporal Dynamics of Mesoscopic Chaotic Systems
Raymond Kapral, Xiao-Guang Wu
An investigation of the mesoscopic dynamics of chemical systems whose mass action equation gives rise to a deterministic chaotic attractor is carried out. A reactive lattice-gas mo…
Molecular dynamics study of solvation effects on acid dissociation in aprotic media
Daniel Laria, Raymond Kapral, Dario Estrin +1
Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated. Th…
Biscale Chaos in Propagating Fronts
Anatoly Malevanets, Agusti Careta, Raymond Kapral
The propagating chemical fronts found in cubic autocatalytic reaction-diffusion processes are studied. Simulations of the reaction-diffusion equation near to and far from the onset…
Dynamics of Proton Transfer in Mesoscopic Clusters
Styliani Consta, Raymond Kapral
Proton transfer rates and mechanisms are studied in mesoscopic, liquid-state, molecular clusters. The proton transfer occurs in a proton-ion complex solvated by polar molecules com…