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

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