Molecular Structure A Spectroscopic Approach
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Molecular Structure A Spectroscopic Approach
Contents: Introduction, Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, Ultraviolet Spectroscopy, Nuclear Magnetic Resonance, Electron Spin Resonance, Mössbauer Effect, Mass Spectrometry, X-ray Diffraction, Magnetic Properties, Electron Diffraction, Neutron Diffraction, Dipole Moment.
Challenges in Molecular Structure Determination
Author: Manfred Reichenbächer
language: en
Publisher: Springer Science & Business Media
Release Date: 2012-03-22
Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.
Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation
Author: Mikhail E Elyashberg
language: en
Publisher: Royal Society of Chemistry
Release Date: 2015-11-09
Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation. Scientists that are presently using CASE systems will be interested in the algorithms and modern approaches and for organizations that are currently using the StrucEluc platform the book is designed to help researchers understand the strategies behind CASE as well as details regarding the StrucEluc platform. For scientists that have never used CASE systems they will now have access to all necessary information to understand CASE systems for mastering this new and very effective approach to structure elucidation. The authors overall goal is writing this book is to produce the 'must read' definitive text that will represent the results of decades of work to develop computer-assisted structure elucidation software systems. CASE systems are now powerful software tools commonly outperforming and correcting human interpretations of data. This book will also provide an historical perspective of the work of the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.