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This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level, of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties.
The Crystalline States of Organic Compounds is a broad survey of the techniques by which molecular crystals are investigated, modeled, and applied, starting with the fundamentals of intra- and intermolecular bonding supplemented by a concise tutorial on present-day diffraction methods, then proceeding to an examination of crystallographic databases with their statistics and of such fundamental and fast-growing topics as intermolecular potentials, polymorphism, co-crystallization, and crystal structure prediction by computer. A substantial part of the book is devoted to the techniques of choice in modern simulation, Monte Carlo and molecular dynamics, with their most recent developments and a...
Lawrence Bartell experienced many strange events over the course of his long life, at least partly because he deliberately strayed far from the beaten path in science. While it might not have been the most efficient way to gain a reputation in his field, it was more fun. In his memoir, he presents a collection of entertaining, sometimes bizarre stories collected over a lifetime. Bartell chronicles a wide variety of experiences, such as his predisposition to indulge in childhood pranks, his arrest as a possible Russian spy, his work on the Manhattan Project, his entry into the Guinness Book of Records, his stint in the US Navy during wartime, and his appointment as visiting professor in Moscow during the height of the Cold War. As he recalls the curiousand often bizarretrue stories he acquired over a lifetime, it soon becomes evident that scientists are just as human as anyone else and that beer really can play an important role in preparing one for a PhD thesis. True Stories of Strange Events and Odd People shares details from a scientists one-of-a-kind journey through life as he observes the world around him, tests his theories, and learns valuable life lessons.
Proceedings of the Twelfth Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, April 2-4, 1979
A volume which includes entries on quasicrystals, icosahedral packing, other packing considerations, extended structures, data treatment and data mining is presented by luminaries from the crystallography community. Several of the contributions are from the schools of such trend-setting crystallographers as J. Desmond Bernal and Aleksandr I. Kitaigorodskii. Internationally renowned scientists contributed such as Tom L. Blundell, Johann Jacob Burckhardt, John L. Finney, Jenny P. Glusker, Nobel laureate Herbert A. Hauptman, the 2014 Ewald-Prize winner A. Janner, Aminoff-Prize winner Isabella Karle, Nobel laureate Jerome Karle, Buckley-Prize winner Alan L. Mackay, Ewald-Prize winner David Sayre...
Computational Studies of Crystal Structure and Bonding, by Angelo Gavezzotti Cryo-Crystallography: Diffraction at Low Temperature and More, by Piero Macchi High-Pressure Crystallography, by Malcolm I. McMahon Chemical X-Ray Photodiffraction: Principles, Examples, and Perspectives, by Panče Naumov Powder Diffraction Crystallography of Molecular Solids, by Kenneth D. M. Harris
Polymorphism - the multiplicity of structures or forms - is a term that is used in many disciplines. In chemistry it refers to the existence of more than one crystal structure for a particular chemical substance. The properties of a substance are determined by its composition and by its structure. In the last two decades, there has been a sharp rise in the interest in polymorphic systems, as an intrinsically interesting phenomenon and as an increasingly important component in the development and marketing of a variety of materials based on organic molecules (e.g. pharmaceuticals, dyes and pigments, explosives, etc.). This book summarizes and brings up to date the current knowledge and understanding of polymorphism of molecular crystals, and concentrates it in one comprehensive source. The book will be an invaluable reference for students, researchers, and professionals in the field.
Born from twenty-five years of experimental research and a decade of bibliographic studies, this publication delves into the fascinating theory of life's abiotic origins. It begins with simple amino acids, the building blocks of proteins, revealing how these compounds, present from the prebiotic era and discovered in ancient meteorites, may have been pivotal in life's evolutionary journey. Focusing particularly on amino acids' chirality—that is, their existence in mirror-image right and left forms—the author probes the critical enigma of their separation and why the left (L) form dominates in all known living beings. The book sparks a compelling discussion about how this bifurcation might have occurred at life's very inception and the ultimate fate of the right form. The text further extends its reach, proposing theories on the genetic code's origins, the selection of the 20 natural amino acids from many known, and a physical theory of consciousness in bacteria. "Prebiotic Chemistry and the Origin of Life" is more than a trek through the complexities of chemistry and molecular biology; it's an enthralling journey into some of life's most profound existential questions.
An excellent overview of the manifold aspects of modern crystal engineering. From design and preparation to spectroscopy and applications, this handbook both covers and evaluates all aspects of crystal engineering. Clearly structured, it provides an overview of the current status as seen from its various angles as well as a comparison of different techniques and applications. An essential source of high quality information for everyone working in this booming and interdisciplinary field: spectroscopists, physical and inorganic chemists as well as materials scientists working in nanotechnology and the pharmaceutical industry.
Supramolecular chemistry is ‘chemistry beyond the molecule’ - the chemistry of molecular assemblies and intermolecular bonds. It is one of today’s fastest growing disciplines, crossing a range of subjects from biological chemistry to materials science; and from synthesis to spectroscopy. Supramolecular Chemistry is an up-to-date, integrated textbook that tells the newcomer to the field everything they need to know to get started. Assuming little in the way of prior knowledge, the book covers the concepts behind the subject, its breadth, applications and the latest contemporary thinking in the area. It also includes coverage of the more important experimental and instrumental techniques...