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Electron Density and Chemical Bonding I
D. Stalke, U. Flierler: More than Just Distances from Electron Density Studies.- A.O. Madsen: Modeling and Analysis of Hydrogen Atoms.- B.B. Iversen/J. Overgaard: Charge Density Methods in Hydrogen Bond Studies.- U. Flierler, D. Stalke: Some Main Group Chemical Perceptions in the Light of Experimental Charge Density Investigations.- D. Leusser: Electronic Structure and Chemical Properties of Lithium Organics Seen Through the Glasses of Charge Density.- L. J. Farrugia, P. Macchi: Bond Orders in Metal–Metal Interactions Through Electron Density Analysis.- W. Scherer, V. Herz, Ch. Hauf: On the Nature of β-Agostic Interactions: A Comparison Between the Molecular Orbital and Charge Density Picture.
Electron Density and Chemical Bonding II
T. Koritsanszky, A. Volkov, M. Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.- B. Dittrich, D. Jayatilaka: Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.- B. Engels, Th. C. Schmidt, C. Gatti, T. Schirmeister, R.F. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.- S. Fux, M. Reiher: Electron Density in Quantum Theory.- K. Meindl, J.Henn: Residual Density Analysis.- C. Gatti: The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities.
The Chemistry of Organolithium Compounds
This is the first volume in the series to concentrate on organo-lithium compounds - the sub series "The chemistry of the metal-carbon bond" (5 vol) treated organometallics in general. It deals with theoretical/physical/computational apsects, as well as major spectroscopies, such as MS, NMR, IR/UV etc and both biological and industrial applications. The core of the volume is the synthetic chapters with lots of examples for modern synthetic approaches Written by key researchers in the field An invaluable reference source to organic chemists working in academia and industry Features important reagents in organic synthesis
Modern Charge-Density Analysis
Focusing on developments from the past 10-15 years, this volume presents an objective overview of the research in charge density analysis. The most promising methodologies are included, in addition to powerful interpretative tools and a survey of important areas of research.
Complementary Bonding Analysis
As chemical bonds are not observable, there are various theories and models for their description. This book presents a selection of conceptually very different and historically competing views on chemical bonding analysis from quantum chemistry and quantum crystallography. It not only explains the principles and theories behind the methods, but also provides practical examples of how to derive bonding descriptors with modern software and of how to interpret them.
21st Century Challenges in Chemical Crystallography I
This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considere...
Group 13 Chemistry I
Over the last decade our view of chemistry has evolved substantially. Whereas individual researchers previously focused on specific areas of chemistry, such as inorganic, organic, etc. we now take a more holistic approach. Effective and efficient research projects now incorporate whatever aspects of the chemistry subdisciplines that are needed to complete the intended work. The main group elements have always been used in this manner. Depending on the use of the elements, the resulting work can be described under any heading of chemistry. The group 13 elements have been special in this regard due to the very unique characters of the constituent elements. Thus, there is a dramatic change in the properties of the elements when proceeding through the series, B, A1, Ga, In, T1. This difference is one of the main reasons why these elements have seen, and continue to see, such widespread usage in such disparate applications as organic synthesis, electronic and structural materials, and catalysis, to name but a few.
Organosilicon Chemistry III
Organosilicon Chemistry at its best ...((kursiv)) Like its two hugely successful predecessors, the third volume again presents the latest developments in a rapidly developing field of industsrial and academic research. The contributions from approx. 80 internationally renowned experts and researchers in this fascinating part of the rapidly growing field of main group chemistry describe current trends in organosilicon chemistry and provide summaries of the latest (1997!) knowledge in this area. To facilitate access to the ongoing research this volume is split into two parts, each with a comprehensive introduction: Part 1: Fascinating Organosilicon Compounds Part 2: Silicon Based Materials
Computational Materials Discovery
A unique and timely book providing an overview of both the methodologies and applications of computational materials design.
