Review from previous edition 'For crystallographers interested in future advances in the study of hydrogen bonding and their implications for crystal engineering and structural biology, this is a must-read book ' Acta Crystallographica'It is a real pleasure to read the book' Crystallography News'This book is an important monograph for those working on the related structural chemistry of the weak hydrogen bond' MoleculesThe weak or non-conventional hydrogen bond has been the subject of intense scrutiny over recent years. Now available in paperback, this highly acclaimed book provides a critical assessment on this interesting and occasionally controverstial interaction type.
This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.
A classic textbook providing a clear and comprehensive introduction to the topic of crystallography and diffraction for undregraduate and beginning graduate students and lecturers in physics, chemistry, materials and earth sciences. For this second edition the existing material has been throughly updated.
Crystallography and structure theory have recently received increasing interest due to their role in understanding biological structures, high-temperature superconductors, and effects on mineral properties related to changes in temperature and pressure. This text offers an account of the wide range of crystallography in various branches of science.The fundamentals, the most frequently used procedures, and experimental techniques are all described, and a number of appendices are devoted to more specialist aspects. The book is an updated edition with emphasis on the range of topical applications. Illustrations should help to clarify the subject matter. To provide a better understanding of the basics of crystallography, a compact disk has been added to this edition, offering the facilities of modern graphics to simulate experiments, show complex images, and provide a number of exercises.
This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.
Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies and geometries. New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: charge- and resonance-assisted H-bonds); full H-bond classification in six classes (the six chemical leitmotifs); and assessment of the covalent nature of strong H-bonds. This leads to three distinct but inter-consistent models able to rationalize the H-bond and predict its strength, based on classical VB theory, matching of donor-acceptor acid-base parameters (PA or pKa), or shape of the H-bond proton-transfer pathway. Applications survey a number of systems where strong H-bonds play an important functional role, namely drug-receptor binding, enzymatic catalysis, ion-transport through cell membranes, crystal design and molecular mechanisms of functional materials.