Structure and Properties of Clusters: from a few Atoms to Nanoparticles
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A01=George Maroulis
ab initio calculations
adaptive tempering
advanced cluster reactivity studies
Author_George Maroulis
carbon nanotubes
Category=UY
chiral carbon nanotubes
computational study of transition
DFT methods
electric polarizability and hyperpolarizability calculations
Electron correlation effects
electronic hyperpolarizability
electronic structure theory
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finite water chains
iron clusters
Magnetic and spectroscopic properties
materials science applications
metal clusters
molecular modelling
nanostructure simulation
neutral clusters
nitric oxide and nitric oxide dimer
Positional isotope effect
quantum chemistry methods
Product details
- ISBN 9781138412989
- Weight: 453g
- Dimensions: 156 x 234mm
- Publication Date: 13 Sep 2023
- Publisher: Taylor & Francis Ltd
- Publication City/Country: GB
- Product Form: Hardback
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This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles. Special emphasis is given to bringing forth new insights on the structure and properties of these systems with an eye towards potential applications in Materials Science. Overal, the volume presents to the readers an amazing wealth of new results. Particular subjects include water clusters, Silicon, Iron, Nickel and Gold clusters, carbon-titanium microclusters and nanoparticles, fullerenes, carbon nanotubes, chiral carbon nanotubes, boron nanoclusters and more.
