theoretical aspects computer modeling (19 risultati)

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Condizione: New. The Molecular Solid State Founding Editor: J. D. Dunitz ETH Zentrum, Zuerich, Switzerland This new series reports on advances in the field of molecular solid state chemistry. Each volume focuses on selected areas and highlights methods and results in synthes.

Condizione: New. pp. 248.

Condizione: New. pp. 248.

Condizione: New. Theoretical understanding and modeling of the solid state are important tools for further development of solid-state chemistry research. This book provides an overview of the latest developments in computer modeling and theoretical aspects of molecular solid states. Editor(s): Gavezzotti, Angelo. Series: Molecular Solid State. Num Pages: 248 pages, Illustrations. BIC Classification: PNN; PNT; UGK. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 237 x 163 x 19. Weight in Grams: 520. . 1997. 1st Edition. Paperback. . . . .

Buch. Condizione: Neu. Neuware - The Molecular Solid State Founding Editor: J. D. Dunitz ETH Zentrum, Zürich, Switzerland This new series reports on advances in the field of molecular solid state chemistry. Each volume focuses on selected areas and highlights methods and results in syntheses, properties and applications. Future volumes will provide a continuing forum for the discussion of chemical, physical, biological and crystallographic aspects of the molecular solid state. Theoretical Aspects and Computer Modeling of the Molecular Solid State Edited by Angelo Gavezzotti, University of Milan, Italy Focusing on crystal symmetry, intermolecular forces and the thermodynamics of solids and phase transitions, this first volume in the series provides the basic theoretical framework for understanding the molecular solid state. This compendium of reviews opens the way to the computer modeling of molecules and molecular crystals, enabling the reproduction and prediction of structural and energetic properties. This forms the basis for understanding the exciting developments in experimental techniques and the design and creation of novel materials. An appreciation of the underlying theories and uses of molecular modeling packages is essential for the solid state chemist. Angelo Gavezzotti is a professor of physical chemistry at the University of Milan and a renowned expert in the theoretical and computer modeling of organic solids. He provides an introductory chapter on crystal symmetry and molecular recognition, a topic that is essential in understanding how crystals grow and how crystal properties are related to the physical properties of solids. Theoretical Aspects and Computer Modeling of the Molecular Solid State is invaluable to theoretical chemists in materials science, crystallography and solid state chemistry.

Hardcover. Condizione: Brand New. 1st edition. 248 pages. 9.50x6.50x1.00 inches. In Stock.

Condizione: New. Theoretical understanding and modeling of the solid state are important tools for further development of solid-state chemistry research. This book provides an overview of the latest developments in computer modeling and theoretical aspects of molecular solid states. Editor(s): Gavezzotti, Angelo. Series: Molecular Solid State. Num Pages: 248 pages, Illustrations. BIC Classification: PNN; PNT; UGK. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 237 x 163 x 19. Weight in Grams: 520. . 1997. 1st Edition. Paperback. . . . . Books ship from the US and Ireland.

Hardcover. Condizione: new. Hardcover. The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling. Theoretical understanding and modeling of the solid state are important tools for further development of solid-state chemistry research. This book provides an overview of the latest developments in computer modeling and theoretical aspects of molecular solid states. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.

Hardcover. Condizione: new. Hardcover. The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling. Theoretical understanding and modeling of the solid state are important tools for further development of solid-state chemistry research. This book provides an overview of the latest developments in computer modeling and theoretical aspects of molecular solid states. This item is printed on demand. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.

Hardcover. Condizione: new. Hardcover. The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling. Theoretical understanding and modeling of the solid state are important tools for further development of solid-state chemistry research. This book provides an overview of the latest developments in computer modeling and theoretical aspects of molecular solid states. This item is printed on demand. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability.

Hardcover. Condizione: Brand New. 1st edition. 248 pages. 9.50x6.50x1.00 inches. In Stock. This item is printed on demand.