Introduction to computational chemistry / Frank Jensen
Tipo de material: TextoDetalles de publicación: Chichester : John Wiley & Sons, 2017 Edición: 3rd ed.Descripción: XXII, 638 : il. ; 24 cmISBN: 9781118825990Tema(s): Química computacionalResumen: Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: ? Polarizable force fields? Tightâbinding DFT? More extensive DFT functionals, excited states and time dependent molecular properties? Accelerated Molecular Dynamics methods? Tensor decomposition methods? Cluster analysis? Reduced scaling and reduced prefactor methodsTipo de ítem | Biblioteca de origen | Signatura | Estado | Fecha de vencimiento | Código de barras | Reserva de ítems | Bibliografía recomendada |
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Manuales | 02. BIBLIOTECA CAMPUS PUERTO REAL | 544/JEN/int (Navegar estantería(Abre debajo)) | Disponible Ubicación en estantería | Bibliomaps® | 3744446960 |
QUÍMICA FÍSICA II GRADO EN QUÍMICA Asignatura actualizada 2022-2023 |
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Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: ? Polarizable force fields? Tightâbinding DFT? More extensive DFT functionals, excited states and time dependent molecular properties? Accelerated Molecular Dynamics methods? Tensor decomposition methods? Cluster analysis? Reduced scaling and reduced prefactor methods
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