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A correlation-energy formula due to Colle and Salvetti [Theor. Chim. Acta 37, 329 (1975)], in which the correlation energy density is expressed in terms of the electron density and a Laplacian of the second-order Hartree...

We present an analysis of the performances of a parameter free density functional model (PBE0) obtained combining the so called PBE generalized gradient functional with a predefined amount of exact exchange. The results ...

Materias / palabras clave: Sorption; Kinetics; Kinetic energy; Aqueous solution; Chemistry; Thermodynamics; Environmental chemistry; Physical chemistry; Adsorption; Physics; Quantum mechanics

Materias / palabras clave: Turbulence; Turbulence kinetic energy; Computation; K-epsilon turbulence model; K-omega turbulence model; Dissipation; Mechanics; Flow (mathematics); Statistical physics; Turbulence modeling; Range (aeronautics); Physics

Preface to the Fourth Edition. 1 Biomechanics as an Interdiscipline. 1.0 Introduction. 1.1 Measurement, Description, Analysis, and Assessment. 1.2 Biomechanics and its Relationship with Physiology and Anatomy. 1.3 Scope ...

An extended period numerical integration of a baroclinic primitive equation model has been made for the simulation and the study of the dynamics of the atmosphere's general circulation. The solution corresponding to exte...

A review on dye-sensitized solar cells (DSCs). Some brief notes on solar energy in general and DSC in particular are given, followed by a discussion of the operational principles of DSC (energetics and kinetics). Then, t...

We present a method for calculating the stability of reaction intermediates of electrochemical processes on the basis of electronic structure calculations. We used that method in combination with detailed density functio...

Adsorptive separation is very important in industry. Generally, the process uses porous solid materials such as zeolites, activated carbons, or silica gels as adsorbents. With an ever increasing need for a more efficient...

Materias / palabras clave: chemical reaction kinetics and catalysis, energy and conversion technology, food technology, material development, separation and purification technology, waste treatment technology; Technology: Chemical technology: Chem...