Author: Ilya G. Kaplan
Publisher: John Wiley & Sons
ISBN: 0470863331
Category : Science
Languages : en
Pages : 380
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Book Description
The subject of this book — intermolecular interactions — is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular forces at large, intermediate and short-range distances is presented. For the first time in the monographic literature, the temperature dependence of the dispersion forces is discussed, and it is shown that at finite temperatures the famous Casimir-Polder asymptotic formula is correct only at narrow distance range. The author has aimed to make the presentation understandable to a broad scope of readers without oversimplification. In Chapter 3, the methods of quantitative calculation of the intermolecular interactions are discussed and modern achievements are presented. This chapter should be helpful for scientists performing computer calculations of many-electron systems. The last two chapters are devoted to the many-body effects and model potentials. More than 50 model potentials exploited for processing experimental data and computer simulation in different fields of physics, chemistry and molecular biology are represented. The widely used global optimisation methods: simulated annealing, diffusion equation method, basin-hopping algorithm, and genetic algorithm are described in detail. Significant efforts have been made to present the book in a self-sufficient way for readers. All the necessary mathematical apparatus, including vector and tensor calculus and the elements of the group theory, as well as the main methods used for quantal calculation of many-electron systems are presented in the appendices.
Author: Elliot R. Bernstein
Publisher: Elsevier
ISBN: 0128175877
Category : Science
Languages : en
Pages : 310
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Book Description
The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. - Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. - Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. - Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.
Author: G. Birnbaum
Publisher: Springer Science & Business Media
ISBN: 1461325110
Category : Computers
Languages : en
Pages : 784
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Book Description
This book is concerned with recent experimental and theoretical work dealing with phenomena created by the transient dipoles and polarizabilities produced by intermolecular interactions. The for mer produce absorption from the microwave to the optical regions of the spectrum and the latter produce Rayleigh and Raman scattering; such absorption and scattering would be absent without collisions. Static properties, such as dielectric constant, refractive index, and Kerr effect, also exhibit the effects of induced dipoles and polarizabilities. The first observation of an infrared absorption spectrum pro duced by the collisions of molecules which ordinarily do not have an allowed dipole transition was reported in 1949 (Crawford, Welsh, and Locke). The first observation of depolarized Rayleigh spectra due to collisions in atomic gases appeared in 1968 (McTague and Birnbaum). However, it was not until 1977 that the first conference dealing with collision-induced phenomena was organized by J. D. Poll at the University of Guelph. This conference was mainly concerned with studies of collision-induced absorption in gases. Light scat tering received more attention at the second meeting of the colli sion-induced community in 1978, at the E. Fermi Summer School on "Intermolecular Spectroscopy and Dynamical Properties of Dense Sys tems," organized by J. Van Kranendonk. However, the emphasis was still on collision-induced absorption in compressed gases, although some work on liquids, solid H , and related subjects such as ro 2 tational relaxation was included. The third induced phenomena con ference, organized by F.
Author: Jacob N. Israelachvili
Publisher: Academic Press
ISBN: 0123919339
Category : Science
Languages : en
Pages : 708
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Book Description
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)
Author: Juan J Novoa
Publisher: Royal Society of Chemistry
ISBN: 1788013336
Category : Science
Languages : en
Pages : 782
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Book Description
The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.
Author: Akbar Salam
Publisher: John Wiley & Sons
ISBN: 0470259302
Category : Science
Languages : en
Pages : 417
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Book Description
The first such book devoted exclusively to the MQED theory of long-range intermolecular forces, this resource gives the first presentation of the second quantized Maxwell field formulation of the theory. The coverage includes recently developed non-perturbative approaches for treating a variety of intermolecular interactions. It also provides a comprehensive treatment of discriminatory forces and their subsequent modification by a radiation field. This provides an essential resource for theoretical and physical chemists; atomic, molecular, and optical physicists; as well as biophysicists, materials scientists, and nanochemists.
Author: Deepak Chopra
Publisher: Royal Society of Chemistry
ISBN: 1788015169
Category : Science
Languages : en
Pages : 358
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Book Description
Technological and computational advances in the past decade have meant a vast increase in the study of crystalline matter in both organic, inorganic and organometallic molecules. These studies revealed information about the conformation of molecules and their coordination geometry as well as the role of intermolecular interactions in molecular packing especially in the presence of different intermolecular interactions in solids. This resulting knowledge plays a significant role in the design of improved medicinal, mechanical, and electronic properties of single and multi-component solids in their crystalline state. Understanding Intermolecular Interactions in the Solid State explores the different techniques used to investigate the interactions, including hydrogen and halogen bonds, lone pair–pi, and pi–pi interactions, and their role in crystal formation. From experimental to computational approaches, the book covers the latest techniques in crystallography, ranging from high pressure and in situ crystallization to crystal structure prediction and charge density analysis. Thus this book provides a strong introductory platform to those new to this field and an overview for those already working in the area. A useful resource for higher level undergraduates, postgraduates and researchers across crystal engineering, crystallography, physical chemistry, solid-state chemistry, supramolecular chemistry and materials science.
Author: Anthony Stone
Publisher: OUP Oxford
ISBN: 0191652954
Category : Science
Languages : en
Pages : 352
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Book Description
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.
Author: Pavel Hobza
Publisher: Royal Society of Chemistry
ISBN: 1847558534
Category : Science
Languages : en
Pages : 239
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Book Description
Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.
Author: Bernard Pullman
Publisher: Springer
ISBN:
Category : Science
Languages : en
Pages : 588
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Book Description
Proceedings of the 14th Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 13-16, 1981
