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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
X-Ray Crystallography: A History of Ideas
Microwave Spectroscopy
Infrared Spectroscopy
Gas-Phase Electron Diffraction
A Spectroscopist’s View on the Structural Problem
Aspects of Structural Chemistry in Molecular Biology
Magic and Mysteries of Modern Molecular Dynamics Simulations
Phases, Phase Changes, and the Thermodynamics of Small Systems
Relativistic Effects in Molecular Structure of S-and P-Block Elements
Metal Halide Molecular Structures
Strength From Weakness: Inorganic Structures
The Myth About Planarity of Olefinic Carbon Atoms: an Ab Initio Study
Polymorphism
Hydrogen Bond at the Dawn of the Xxi Century. New Methods, New Results, New Ideas
Improper, Blue-Shifting Hydrogen Bond: Theory and Experiment
From Molecules to Supermolecules: A Theoretical Approach
Strength from Motion in Crystals: The Example of Supramolecular Adducts
Crystal Engineering from Weakness to Strength — an Overview
Controlling Molecular Synthesis in the Solid State Using Linear Templates
Ab Initio Molecular Dynamical Simulation on H 2 Adsorption and Storage in Carbon-Based Materials
First-Principles Studies on Heterogeneous Catalysis of Amination: Mechanisms and Support Effects