Chemical Modelling

Volume 16

Michael Springborg, Jan-Ole Joswig (Herausgeber)

Buch | Hardcover

196 Seiten

2021
Royal Society of Chemistry (Verlag)
978-1-83916-170-4 (ISBN)

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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.

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

Erscheinungsdatum	06.05.2021
Reihe/Serie	Specialist Periodical Reports - Chemical Modelling ; Volume 16
Verlagsort	Cambridge
Sprache	englisch
Maße	156 x 234 mm
Gewicht	1240 g
Themenwelt	Naturwissenschaften ► Chemie ► Physikalische Chemie
ISBN-10	1-83916-170-1 / 1839161701
ISBN-13	978-1-83916-170-4 / 9781839161704
Zustand	Neuware