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Titolo: | Computational chemistry [[electronic resource] ] . Volume 8 : reviews of current trends / / editor, Jerzy Leszczynski |
Pubblicazione: | Singapore, : World Scientific, c2003 |
Descrizione fisica: | 1 online resource (361 p.) |
Disciplina: | 540.151 |
Soggetto topico: | Chemistry - Mathematics |
Parallel computers | |
Soggetto genere / forma: | Electronic books. |
Altri autori: | LeszczynskiJerzy <1949-> |
Note generali: | Description based upon print version of record. |
Nota di bibliografia: | Includes bibliographical references. |
Nota di contenuto: | PREFACE; CONTENTS; Chapter 1: Computational Modelling of the Solvent Effects on Molecular Properties; Chapter 2: Electronic and Nonlinear Optical Properties of 2-Methyl-4-Nitroaniline Clusters; Chapter 3: Ab Initio Calculations of the Intermolecular Nuclear Spin-Spin Coupling Constants; Chapter 4: Base Polyad Motifs in Nucleic Acids-Biological Significance, Occurrence in Three-Dimensional Experimental...; Chapter 5: Model Calculations of Radiation Induced Damage in DNA Constituents Using Density Functional Theory; Chapter 6: Excited States of Nucleic Acid Bases; INDEX |
Sommario/riassunto: | Chapter 1 of this volume provides an overview of the theoretical and numerical aspects in the development of the polarizable continuum model (PCM). Chapter 2 demonstrates a multiplicative scheme used to estimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components. |
Titolo autorizzato: | Computational chemistry |
ISBN: | 1-281-87676-3 |
9786611876760 | |
981-256-436-5 | |
Formato: | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione: | Inglese |
Record Nr.: | 9910449870703321 |
Lo trovi qui: | Univ. Federico II |
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