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List of Contributors | ||
Preface | ||
1 | X-Ray Crystallography: A History of Ideas | 1 |
2 | Microwave Spectroscopy | 11 |
3 | Infrared Spectroscopy | 31 |
4 | Gas-Phase Electron Diffraction | 49 |
5 | A Spectroscopist's View on the Structural Problem | 73 |
6 | Aspects of Structural Chemistry in Molecular Biology | 91 |
7 | Magic and Mysteries of Modern Molecular Dynamics Simulations. A Basic Introduction | 121 |
8 | Phases, Phase Changes, and the Thermodynamics of Small Systems | 143 |
9 | Relativistic Effects in Molecular Structure of s- and p-Block Elements | 169 |
10 | Metal Halide Molecular Structures | 191 |
11 | Strength from Weakness: Inorganic Structures | 213 |
12 | The Myth about Planarity of Olefinic Carbon Atoms: An ab Initio Study | 241 |
13 | Polymorphism | 247 |
14 | Hydrogen Bond at the Dawn of the XXI Century. New Methods, New Results, New Ideas | 261 |
15 | Improper, Blue-Shifting Hydrogen Bond: Theory and Experiment | 281 |
16 | From Molecules to Supermolecules: A Theoretical Approach | 293 |
17 | Strength from Motion in Crystals: The Example of Supramolecular Adducts | 319 |
18 | Crystal Engineering from Weakness to Strength - An Overview | 335 |
19 | Controlling Molecular Synthesis in the Solid State Using Linear Templates | 355 |
20 | Ab Initio Molecular Dynamical Simulation on H[subscript 2] Adsorption and Storage in Carbon-Based Materials | 367 |
21 | First-Principles Studies on Heterogeneous Catalysis of Amination: Mechanisms and Support Effects | 385 |
Subject Index | 405 |
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