|
|
|
|
|
|
|
|
1. |
Record Nr. |
UNINA9910449870703321 |
|
|
Titolo |
Computational chemistry [[electronic resource] ] . Volume 8 : reviews of current trends / / editor, Jerzy Leszczynski |
|
|
|
|
|
|
|
Pubbl/distr/stampa |
|
|
Singapore, : World Scientific, c2003 |
|
|
|
|
|
|
|
ISBN |
|
1-281-87676-3 |
9786611876760 |
981-256-436-5 |
|
|
|
|
|
|
|
|
Descrizione fisica |
|
1 online resource (361 p.) |
|
|
|
|
|
|
Altri autori (Persone) |
|
|
|
|
|
|
Disciplina |
|
|
|
|
|
|
Soggetti |
|
Chemistry - Mathematics |
Parallel computers |
Electronic books. |
|
|
|
|
|
|
|
|
Lingua di pubblicazione |
|
|
|
|
|
|
Formato |
Materiale a stampa |
|
|
|
|
|
Livello bibliografico |
Monografia |
|
|
|
|
|
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. |
|
|
|
|
|
|
|