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