Fr. 121.20

Molecular Aggregation - Structure Analysis and Molecular Simulation of Crystals and Liquids

English · Paperback / Softback

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Zusatztext An excellent resource book as well as a learning aid for specialists. Informationen zum Autor Professor Angelo GavezzottiLaurea (degree) in Chemistry, 1968, University of Milano1972 Lecturer in Physical and Theoretical Chemistry, University of Milano1983 Associate Professor of Physical Chemistry, University of Milano 1987 Professor of Physical Chemistry, University of Milano1973-74 Research term at Centre Europeen de Calcul Atomique et Moleculaire, Orsay (Paris);1977-78 Research term at the Department of Chemistry, University of Michigan (with L.S.Bartell)Coeditor, Acta Crystallographica (1988-1991)Author or coauthor of about 120 full papers in properly refereed journals or books with international editorship (mean of 2.2 authors per publication) Author of widely disseminated computer program packagesInvited speaker at congresses, meetings, or for lectures and seminars in Universities and Chemical Companies worldwide Fellow of the Royal Society of Chemistry (2005) Klappentext The book is divided in two parts, to supply first the basic elements of the language, with short but complete explanations of terms, methods and theories; and then to describe the present status of studies on the processes by which organic molecules aggregate to form observable bodies and to determine their physical and chemical properties. Zusammenfassung The book is divided in two parts, to supply first the basic elements of the language, with short but complete explanations of terms, methods and theories; and then to describe the present status of studies on the processes by which organic molecules aggregate to form observable bodies and to determine their physical and chemical properties. Inhaltsverzeichnis Part I: Fundamentals 1: The molecule: structure, size and shape 2: Molecular vibrations and molecular force fields 3: Quantum chemistry 4: The physical nature and the computer simulation of the intermolecular potential 5: Crystal symmetry and X-ray diffraction 6: Periodic systems: crystal orbitals and lattice dynamics 7: Molecular structure and macroscopic properties: calorimetry and thermodynamics 8: Correlation studies in organic solids 9: The liquid state 10: Computers Part II: The frontier 11: Structure-property and structure-activity relationships 12: Intermolecular bonding 13: Phase equilibria, phase changes, and mesophases: analysis and simulation 14: Crystal polymorphism and crystal structure prediction 15: Epilogue: a theory of crystallization? Index ...

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