Educational inclusion and critical pedagogy. 'Inclusión educativa y pedagogía crítica'.

Monográfico con el título: 'Pedagogía crítica del S. XXI'. Resumen basado en el de la publicación

The challenge and promise of critical pedagogy in the new information age : an interview with Henry Giroux. 'El reto y promesa de la pedagogía crítica en la nueva era de la información : una entrevista con Henry Giroux'.

Monográfico con el título: 'Pedagogía crítica del S. XXI'. Resumen basado en el de la publicación

The role of working class (other women) in critical education. 'El papel de la clase trabajadora (otras mujeres) en la educación crítica'.

Monográfico con el título: 'Pedagogía crítica del S. XXI'. Resumen basado en el de la publicación

Schools and Web 2.0 : a critical perspective.

Resumen de la revista. - El artículo pertenece a una sección monográfica dedicada a la escuela en la sociedad digital

The tasks of the critical scholar-activist in education : the contribution of José Gimeno Sacristán. 'Las tareas del académico y activista crítico en educación : la contribución de José Gimeno Sacristán'.

Monográfico con el título: 'Mejorar la escuela: perspectivas didácticas y organizativas'. Resumen basado en el de la publicación

On the relationships between disgust and morality : A critical review

Resumen tomado de la publicación

Governance and change in higher education : the debate between classical political sociology, new institutionalism and critical theories

Resumen tomado de la publicaci??n

Becoming critical hoy

Resumen basado en el de la publicación

Hybrid tasks : promoting statistical thinking and critical thinking through the same mathematical activities

Resumen basado en el de la publicaci??n

False recognition production indexes in forward associative strength (FAS) lists with three critical words

Resumen tomado de la publicaci??n

Didactics–promoting collaborative work and personal learning environment. Critical, creative and autonomous roles in a competitive society

School has evolved from a place where knowledge is provided to a place where learners are helped to develop their professional and social skills. Consequently, education must evolve through big challenges in order to face the changes of society in the XXIst century

Critical thoughts on computing atom condensed Fukui functions

Different procedures to obtain atom condensed Fukui functions are described. It is shown how the resulting values may differ depending on the exact approach to atom condensed Fukui functions. The condensed Fukui function can be computed using either the fragment of molecular response approach or the response of molecular fragment approach. The two approaches are nonequivalent; only the latter approach corresponds in general with a population difference expression. The Mulliken approach does not depend on the approach taken but has some computational drawbacks. The different resulting expressions are tested for a wide set of molecules. In practice one must make seemingly arbitrary choices about how to compute condensed Fukui functions, which suggests questioning the role of these indicators in conceptual density-functional theory

Critical analysis and extension of the Hirshfeld atoms in molecules

The computational approach to the Hirshfeld [Theor. Chim. Acta 44, 129 (1977)] atom in a molecule is critically investigated, and several difficulties are highlighted. It is shown that these difficulties are mitigated by an alternative, iterative version, of the Hirshfeld partitioning procedure. The iterative scheme ensures that the Hirshfeld definition represents a mathematically proper information entropy, allows the Hirshfeld approach to be used for charged molecules, eliminates arbitrariness in the choice of the promolecule, and increases the magnitudes of the charges. The resulting "Hirshfeld-I charges" correlate well with electrostatic potential derived atomic charges

Effect of basis set superposition error on the electron density of molecular complexes

The effect of basis set superposition error (BSSE) on molecular complexes is analyzed. The BSSE causes artificial delocalizations which modify the first order electron density. The mechanism of this effect is assessed for the hydrogen fluoride dimer with several basis sets. The BSSE-corrected first-order electron density is obtained using the chemical Hamiltonian approach versions of the Roothaan and Kohn-Sham equations. The corrected densities are compared to uncorrected densities based on the charge density critical points. Contour difference maps between BSSE-corrected and uncorrected densities on the molecular plane are also plotted to gain insight into the effects of BSSE correction on the electron density

Internal test sets studies in a group of antimalarials

Topological indices have been applied to build QSAR models for a set of 20 antimalarial cyclic peroxy cetals. In order to evaluate the reliability of the proposed linear models leave-n-out and Internal Test Sets (ITS) approaches have been considered. The proposed procedure resulted in a robust and consensued prediction equation and here it is shown why it is superior to the employed standard cross-validation algorithms involving multilinear regression models