Chemical Modelling
Volume 12
1st Edition
Published on 18. November 2015
350 pages
978-1-78262-270-3 (ISBN)
Description
Chemical Modelling covers a wide range of disciplines and this Specialist Periodical Report is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments and current opinion in the applications and theory of chemical modelling. The topics covered are wide ranging with authors writing on clusters to modelling nanotubes and dynamics. Containing both comprehensive and critical reviews, this volume is an essential resource and convenient reference for any research group active in the field or chemical sciences library.
More details
Series
Language
English
Place of publication
Cambridge
United Kingdom
Target group
Professional and scholarly
ISBN-13
978-1-78262-270-3 (9781782622703)
DOI
10.1039/9781782622703
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
Book
11/2015
Royal Society of Chemistry
€467.89
Shipment within 3-4 weeks
E-Book
11/2015
1st Edition
Royal Society of Chemistry
€433.99
Available for download
Persons
Content
Preface;
Toward accurate coarse-graining approaches for protein and membrane simulations;
Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structures;
Vibrational quantum dynamics at metallic surfaces;
Theoretical studues of supercapcitors;
Nanotubes with well-defined structure: imogolites;
Application of DFT modeling in Fischer-Tropsch synthesis over Co-based catalysts;
Structure prediction and its applications in computational materials design;
Ab initio global optimization of clusters;
Nitrogen- and phosphine-binding ligands in interaction with gold atoms, clusters, nanoparticles and surfaces
Toward accurate coarse-graining approaches for protein and membrane simulations;
Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structures;
Vibrational quantum dynamics at metallic surfaces;
Theoretical studues of supercapcitors;
Nanotubes with well-defined structure: imogolites;
Application of DFT modeling in Fischer-Tropsch synthesis over Co-based catalysts;
Structure prediction and its applications in computational materials design;
Ab initio global optimization of clusters;
Nitrogen- and phosphine-binding ligands in interaction with gold atoms, clusters, nanoparticles and surfaces
