Strength from weakness : structural consequences of weak interactions in molecules, supermolecules, and crystals : proceedings of the NATO Advanced Research Workshop on Physical-Chemical Properties and Weak Interactions, held in Erice, Italy, from 23 to 2

The accurate determination of the structure of molecular systems provides information about the consequences of weak interactions both within and between molecules. These consequences impact the properties of the materials and the behaviour in interactions with other substances. The book presents modern experimental and computational techniques for the determination of molecular structure. It also highlights applications ranging from the simplest molecules to DNA and industrially significant materials. __Readership__: Graduate students and researchers in structural chemistry, computational chemistry, molecular spectroscopy, crystallography, supramolecular chemistry, solid state chemistry and physics, and materials science. Front Matter....Pages i-xiv X-Ray Crystallography: A History of Ideas....Pages 1-10 Microwave Spectroscopy....Pages 11-29 Infrared Spectroscopy....Pages 31-48 Gas-Phase Electron Diffraction....Pages 49-71 A Spectroscopist’s View on the Structural Problem....Pages 73-90 Aspects of Structural Chemistry in Molecular Biology....Pages 91-119 Magic and Mysteries of Modern Molecular Dynamics Simulations....Pages 121-141 Phases, Phase Changes, and the Thermodynamics of Small Systems....Pages 143-168 Relativistic Effects in Molecular Structure of S-and P-Block Elements....Pages 169-190 Metal Halide Molecular Structures....Pages 191-211 Strength From Weakness: Inorganic Structures....Pages 213-239 The Myth About Planarity of Olefinic Carbon Atoms: an Ab Initio Study....Pages 241-246 Polymorphism....Pages 247-260 Hydrogen Bond at the Dawn of the Xxi Century. New Methods, New Results, New Ideas....Pages 261-280 Improper, Blue-Shifting Hydrogen Bond: Theory and Experiment....Pages 281-291 From Molecules to Supermolecules: A Theoretical Approach....Pages 293-317 Strength from Motion in Crystals: The Example of Supramolecular Adducts....Pages 319-333 Crystal Engineering from Weakness to Strength — an Overview....Pages 335-353 Controlling Molecular Synthesis in the Solid State Using Linear Templates....Pages 355-365 Ab Initio Molecular Dynamical Simulation on H 2 Adsorption and Storage in Carbon-Based Materials....Pages 367-384 First-Principles Studies on Heterogeneous Catalysis of Amination: Mechanisms and Support Effects....Pages 385-403 Back Matter....Pages 405-417

papers From A May 2001 Workshop Will Be Of Interest To Students And Researchers In Structural Chemistry, Computational Chemistry, Molecular Spectroscopy, Materials Science, Crystal Engineering, And Other Areas Of Structural Science. Modern Experimental And Computational Techniques Are Presented For Accurate Molecular Structure Determination, And Applications Are Described In Areas Ranging From The Simplest Molecules To Dna And Industrially Important Materials. Some Specific Topics Include Gas-phase Electron Diffraction, Metal Halide Molecular Structures, And Polymorphism. Annotation (c)2003 Book News, Inc., Portland, Or

"The accurate determination of the structure of molecular systems provides information about the consequences of weak interactions both within and between molecules. These consequences impact the properties of the materials and the behaviour in interactions with other substances. The book presents modern experimental and computational techniques for the determination of molecular structure. It also highlights applications ranging from the simplest molecules to DNA and industrially significant materials."--pub. desc Proceedings of the NATO Advanced Research Workshop on Physical-Chemical Properties from Weak Interactions, held in Erice, Italy, from 23 to 29 May 2001 In this account it is my aim to write about some of the ideas which have made possible the science of X-ray crystallography as we know it today.