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E-raamat: Chemical Modelling: Volume 16

Edited by (University of Saarland, Germany), Edited by (Dresden University of Technology, Germany)
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Chemical Modelling: Volume 16Suurem pilt
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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. 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, this volume is a convenient reference to the current literature.

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.
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
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Püsilink: https://www.kriso.ee/db/97818391626572e.html
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