Theoretical Modeling of Inorganic Nanostructures
Symmetry and ab initio Calculations of Nanolayers, Nanotubes and Nanowires
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Beschreibung
This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures. Extending the first edition, published in 2015, it presents applications to new nanostructured materials and theoretical explanations of recently discovered optical and thermodynamic properties of known nanomaterials. It discusses the developments in theoretical modeling of nanostructures, describing fundamental approaches such as symmetry analysis and applied calculation methods. The book also examines the theoretical aspects of many thermodynamic and the optical properties of nanostructures. The new edition includes additional descriptions of the theoretical modeling of nanostructures in novel materials such as the V2O5 binary oxide, ZnS, CdS, MoSSe and SnS2.
This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures. Extending the first edition, published in 2015, it presents applications to new nanostructured materials and theoretical explanations of recently discovered optical and thermodynamic properties of known nanomaterials. It discusses the developments in theoretical modeling of nanostructures, describing fundamental approaches such as symmetry analysis and applied calculation methods. The book also examines the theoretical aspects of many thermodynamic and the optical properties of nanostructures. The new edition includes additional descriptions of the theoretical modeling of nanostructures in novel materials such as the V2O5 binary oxide, ZnS, CdS, MoSSe and SnS2.
Explains the symmetry properties of nanostructures Covers symmetry analysis, as well as electronic, optical and thermodynamic properties of nanostructures Bridges the gap between experimental methods of nanostructure production and theoretical modeling
Autor*in
R. A. Evarestov
Themen in »Theoretical Modeling of Inorganic Nanostructures«
LCAO methods of calculations classification of 1D inorganic nanostructures dynamic properties of 1D inorganic nanostructures elctronic properties of 1D inorganic nanostructures simulation and modeling of nanostructures symmetry of monoperiodic systems theoretical and computational chemistry theoretical, mathematical and computational physics