Intermolecular Forces and Clusters I
Intermolecular Forces and Clusters I

Author: D. Wales

Publisher: Springer Science & Business Media

Published: 2005-09-13

Total Pages: 234

ISBN-13: 9783540281948

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Table of contents P.L.A. Popelier: Quantum Chemical Topology: on Bonds and Potentials.- A. Soncini, P.W. Fowler, L.W. Jenneskens: Angular Momentum and Spectral Decomposition of Ring Currents: Aromaticity and the Annulene Model.- S.L. Price, L.S. Price: Modelling Intermolecular Forces for Organic Crystal Structure Prediction.- C. Millot: Molecular Dynamics Simulations and Intermolecular Forces.- S. Tsuzuki: Interactions with Aromatic Rings

The Theory of Intermolecular Forces
The Theory of Intermolecular Forces

Author: Anthony Stone

Publisher: OUP Oxford

Published: 2013-02-01

Total Pages: 352

ISBN-13: 0191652954

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The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.

Intermolecular and Surface Forces
Intermolecular and Surface Forces

Author: Jacob N. Israelachvili

Publisher: Academic Press

Published: 2011-07-22

Total Pages: 708

ISBN-13: 0123919339

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Intermolecular and Surface Forces describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. - Starts from the basics and builds up to more complex systems - Covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels - Multidisciplinary approach: bringing together and unifying phenomena from different fields - This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)

Chemistry 2e
Chemistry 2e

Author: Paul Flowers

Publisher:

Published: 2019-02-14

Total Pages: 0

ISBN-13: 9781947172623

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Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.

Atomic and Molecular Clusters
Atomic and Molecular Clusters

Author: Roy L. Johnston

Publisher: CRC Press

Published: 2002-04-25

Total Pages: 258

ISBN-13: 9781420055771

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Cluster physics is the foundation of the increasingly important field of nanotechnology. Clusters, ranging in size from a few to many millions of atoms, constitute a fascinating field of research in physics, chemistry and materials science. They are formed by most of the elements of the Periodic Table, and the types of bonding and the resultant clusters are equally as varied. This book introduces atomic clusters, ranging from weakly-bonded clusters of argon to strongly-bonded carbon clusters and metal nano-particles. It includes worked examples to enable lecturers and students to gauge their understanding and progress. Atomic and Molecular Clusters describes the experimental generation, detection and interrogation of clusters and theoretical approaches developed to aid understanding of their physical properties. It classifies clusters according to their bonding types and gives examples of present and possible future applications of clusters in electronic, optical and magnetic devices.

Intermolecular Forces
Intermolecular Forces

Author: Pierre L. Huyskens

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 490

ISBN-13: 3642762603

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The study of intermolecular forces began over one hundred years ago in 1873 with the famous thesis of van der Waals. In recent decades, knowledge of this field has expanded due to intensive research into both its theoretical and the experimental aspects. This is particularly true for the type of very strong cohesive force stressed in 1920 by Latimer and Rodebush: the hydrogen bond, a phenomenon already outlined in 1912 by Moore and Winemill. Hydrogen bonds exert a profound influence on most of the physical and chemical properties of the materials in which they are formed. Not only do they govern viscosity and electrical conductivity, they also intervene in the chemical reaction path which determines the kinetics of chemical processes. The properties of chemical substances depend to a large extent on intermolecular forces. In spite of this fundamental fact, too little attention is given to these properties both in research and in university teaching. For instance, in the field of pharmaceutical research, about 13000 compounds need to be studied in order to find a single new product that can be successfully marketed. The recognition of the need to optimize industrial research efficiency has led to a growing interest in promoting the study of inter molecular forces. Rising salary costs in industry have encou raged an interest in theoretical ideas which will lead to tailor made materials.

Theory of Atomic and Molecular Clusters
Theory of Atomic and Molecular Clusters

Author: Julius Jellinek

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 438

ISBN-13: 364258389X

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The emergence and spectacularly rapid evolution of the field of atomic and molecular clusters are among the most exciting developments in the recent history of natural sciences. The field of clusters expands into the traditional disciplines of physics, chemistry, materials science, and biology, yet in many respects it forms a cognition area of its own. This book presents a cross section of theoretical approaches and their applications in studies of different cluster systems. The contributions are written by experts in the respective areas. The systems discussed range from weakly (van der Waals) bonded, through hydrogen- and covalently bonded, to semiconductor and metallic clusters. The theoretical approaches involve high-level electronic structure computations, more approximate electronic structure treatments, use of semiempirical potentials, dynamical and statistical analyses, and illustrate the utility of both classical and quantum mechanical concepts.

Molecular Interactions
Molecular Interactions

Author: David A. Micha

Publisher: John Wiley & Sons

Published: 2020-01-02

Total Pages: 400

ISBN-13: 0470290749

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A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems – emphasizing concepts and methods used in calculations with realistic models and compared with empirical data. Contains applications to many physical systems and worked examples Proceeds from introductory material to advanced modern treatments Has relevance for new materials, biological phenomena, and energy and fuels production