Molecular conformation of cyclenes: Part VI. Cycloalkatrienes with seven to ten carbon atoms in the ring

The strain energy of cycloalkatrienes with seven to ten carbon atoms in the ring is calculated as a function of various geometrical parameters. The most stable conformations are the boat for 1,3,5,cycloheptatriene and 1,3,5,cyclooctatriene, the all-cisC₂ for 1,3,6,cyclooctatriene, the boat-chair for 1,3,5, cyclononatriene, the all-cis crown for 1,4,7,cyclononatriene, a cis-trans-cis form for 1,3,5,cyclodecatriene, a cis-cis-trans and a trans-cis-cis conformer for 1,3,7, and 1,4,8,cyclodecatriene respectively. Some interconversion barriers are also discussed and compared with available experimental data. Fair agreement is generally found.     

Digital simulation of electrochemical processes involving very fast chemical reactions : Part 1. A simple general approach

A simple approach based on the steady-state assumption and linear concentration profiles in the reaction layer is proposed to simulate electrochemical systems involving very fast homogeneous chemical reactions. The flux equations are derived in detail and the method is shown to be suitable for catalytic e.c.e and dimerization reaction mechanism. The accuracy of the proposed method is checked by comparing the results obtained with those already available in the literature.     

Topology and phase transitions: paradigmatic evidence

We report upon the numerical computation of the Euler characteristic chi (a topologic invariant) of the equipotential hypersurfaces Sigma(v) of the configuration space of the two-dimensional lattice varphi(4) model. The pattern chi(Sigma(v)) versus v (potential energy) reveals that a major topology change in the family Sigma(v)(vinR) is at the origin of the phase transition in the model considered. The direct evidence given here-of the relevance of topology for phase transitions-is obtained through a general method that can be applied to any other model.     

Assessing trimming methodologies for clustering linear regression data

Advances in Data Analysis and Classification - We assess the performance of state-of-the-art robust clustering tools for regression structures under a variety of different data configurations. We...     

Quantile composite-based path modeling: algorithms,properties and applications

Advances in Data Analysis and Classification - Composite-based path modeling aims to study the relationships among a set of constructs, that is a representation of theoretical concepts. Such...     

Correction to: Pore Scale Numerical Modelling of Geological Carbon Storage Through Mineral Trapping Using True Pore Geometries

Transport in Porous Media -