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Record Nr. |
UNINA9910821229503321 |
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Titolo |
Computational chemistry [[electronic resource] ] . Volume 8 : reviews of current trends / / editor, Jerzy Leszczynski |
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Pubbl/distr/stampa |
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Singapore, : World Scientific, c2003 |
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ISBN |
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1-281-87676-3 |
9786611876760 |
981-256-436-5 |
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Edizione |
[1st ed.] |
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Descrizione fisica |
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1 online resource (361 p.) |
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Altri autori (Persone) |
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Disciplina |
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Soggetti |
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Chemistry - Mathematics |
Parallel computers |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references. |
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Nota di contenuto |
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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 |
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Sommario/riassunto |
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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. |
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