Chemical Modelling
Volume 16
1st Edition
Published on 14. April 2021
182 pages
978-1-83916-265-7 (ISBN)
Description
Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, isomerism in polyoxometalate chemistry, modelling molecular magnets, molecular modelling of cyclodextrin inclusion complexes and graphene nanoribbons heterojunctions.
More details
Series
Language
English
Place of publication
Cambridge
United Kingdom
Target group
Professional and scholarly
ISBN-13
978-1-83916-265-7 (9781839162657)
DOI
10.1039/9781839162657
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
05/2021
Royal Society of Chemistry
€467.89
Shipment within 3-4 weeks
E-Book
04/2021
1st Edition
Royal Society of Chemistry
€432.99
Available for download
Persons
Content
Accelerated discovery of new molecules for excitonic solar cells via machine learning and virtual screening;
Computational modelling of isomeric polyoxometalates;
Molecular modeling of cyclodextrin inclusion complexes;
Heterojunctions of armchair graphene nanoribbons;
Proton transport and the topology of hydrogen bond networks: The case of phosphoric acid and water systems;
From global to local - hybrid density functionals for weak and strong correlation
Computational modelling of isomeric polyoxometalates;
Molecular modeling of cyclodextrin inclusion complexes;
Heterojunctions of armchair graphene nanoribbons;
Proton transport and the topology of hydrogen bond networks: The case of phosphoric acid and water systems;
From global to local - hybrid density functionals for weak and strong correlation
