Guía para implementar el pensamiento crítico en el aula

It seems obvious that the practical training of Theoretical Chemistry is linked to the development of Computer Science. Actually, this particular science is everywhere, in all fields of knowledge, and this is relevant in Chemistry, because Theoretical Chemistry has been able to display its possibilities thanks to modern computers.

Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as...

Nueva edición de la ya conocida obra de Skoog/Holler/Crouch escrita para ayudar al estudiante a entender la impresionante variedad de poderosas y elegantes herramientas para reunir información cualitativa y cuantitativa sobre la composición y estructura d

Mediante una forma especial de exposición y resumen se ha combinado el valor informativo de los libros de tablas con el de un libro de texto. En el presente libro los colores constituyen un medio auxiliar metódico y didáctico. Acertadas frases y breves comentarios facilitan la comprensión de las tablas y de los gráficos. Por lo tanto, el presente libro es asimismo apropiado como repetitorio.