Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supermolecules, and Crystals

✍ Scribed by Herbert A. Hauptman (auth.), Aldo Domenicano, István Hargittai (eds.)

Publisher: Springer Netherlands
Year: 2002
Tongue: English
Leaves: 418
Series: NATO Science Series 68
Edition: 1
Category: Library

No coin nor oath required. For personal study only.

✦ Synopsis

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.

✦ Table of Contents

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

✦ Subjects

Physical Chemistry; Theoretical and Computational Chemistry; Inorganic Chemistry

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