3 options
Computational chemistry [electronic resource] : Volume 8 : reviews of current trends / editor, Jerzy Leszczynski.
- Format:
- Book
- Language:
- English
- Subjects (All):
- Chemistry--Mathematics.
- Chemistry.
- Parallel computers.
- Physical Description:
- 1 online resource (361 p.)
- Edition:
- 1st ed.
- Place of Publication:
- Singapore : World Scientific, c2003.
- Language Note:
- English
- Summary:
- 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.
- Contents:
- 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
- Notes:
- Description based upon print version of record.
- Includes bibliographical references.
- ISBN:
- 9786611876760
- 9781281876768
- 1281876763
- 9789812564368
- 9812564365
- OCLC:
- 85036128
The Penn Libraries is committed to describing library materials using current, accurate, and responsible language. If you discover outdated or inaccurate language, please fill out this feedback form to report it and suggest alternative language.