Quantentheorie Der Molek Le

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Quantum Biochemistry

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Author : Chérif F. Matta
language : en
Publisher: John Wiley & Sons
Release Date : 2010-01-14

Quantum Biochemistry written by Chérif F. Matta and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-01-14 with Science categories.

Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).

Pathways To Modern Chemical Physics

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Author : Salvatore Califano
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-05-26

Pathways To Modern Chemical Physics written by Salvatore Califano and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-05-26 with Science categories.

In this historical volume Salvatore Califano traces the developments of ideas and theories in physical and theoretical chemistry throughout the 20th century. This seldom-told narrative provides details of topics from thermodynamics to atomic structure, radioactivity and quantum chemistry. Califano’s expertise as a physical chemist allows him to judge the historical developments from the point of view of modern chemistry. This detailed and unique historical narrative is fascinating for chemists working in the fields of physical chemistry and is also a useful resource for science historians who will enjoy access to material not previously dealt with in a coherent way.

Erich H Ckel 1896 1980

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Author : Andreas Karachalios
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-12-08

Erich H Ckel 1896 1980 written by Andreas Karachalios and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-12-08 with Science categories.

This comprehensive account of Huckel’s career examines his scientific work and his key role in the emergence of quantum chemistry as an independent discipline. It also covers his clash with Linus Pauling over the properties of the benzene molecule.

Handbook Of High Resolution Spectroscopy

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Author : Martin Quack
language : en
Publisher: John Wiley & Sons
Release Date : 2011-09-26

Handbook Of High Resolution Spectroscopy written by Martin Quack and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-26 with Science categories.

The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications

Acta Historiae Rerum Naturalium Necnon Technicarum

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Author :
language : en
Publisher:
Release Date : 1989

Acta Historiae Rerum Naturalium Necnon Technicarum written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989 with Science categories.

Theoretical Organic Chemistry

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Author : C. Párkányi
language : en
Publisher: Elsevier
Release Date : 1997-12-09

Theoretical Organic Chemistry written by C. Párkányi and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-12-09 with Science categories.

This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with strong links to theoretical physical chemistry, quantum chemistry, computational chemistry, and physical organic chemistry. The objective in this volume has been to provide a cross-section of a number of interesting topics in theoretical organic chemistry, starting with a detailed account of the historical development of this discipline and including topics devoted to quantum chemistry, physical properties of organic compounds, their reactivity, their biological activity, and their excited-state properties.

Elements Of Synthesis Planning

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Author : R. W. Hoffmann
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-01-07

Elements Of Synthesis Planning written by R. W. Hoffmann and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-01-07 with Science categories.

Synthesis is at the core of organic chemistry. In order for compounds to be studied—be it as drugs, materials, or because of their physical properties— they have to be prepared, often in multistep synthetic sequences. Thus, the target compound is at the outset of synthesis planning. Synthesis involves creating the target compound from smaller, readily available building blocks. Immediately, questions arise: From which bui- ing blocks? In which sequence? By which reactions? Nature creates many highly complex “natural products” via reaction cascades, in which an asso- ment of starting compounds present within the cell is transformed by speci c (for each target structure) combinations of modular enzymes in speci c - quences into the target compounds [1, 2]. To mimic this ef ciency is the dream of an ideal synthesis [2]. However, we are at present so far from - alising such a “one-pot” operation that actual synthesis has to be achieved via a sequence of individual discrete steps. Thus, we are left with the task of planning each synthesis individually in an optimal fashion. Synthesis planning must be conducted with regard for certain speci - tions, some of which are due to the structure of the target molecule, and some of which relate to external parameters such as costs, environmental compatibility, or novelty. We will not consider these external aspects in this context. Planning of a synthesis is based on a pool of information regarding chemical reactions that can be executed reliably and in high chemical yield.

Space Time Continuous Models Of Swarm Robotic Systems

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Author : Heiko Hamann
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-05-18

Space Time Continuous Models Of Swarm Robotic Systems written by Heiko Hamann and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-05-18 with Technology & Engineering categories.

In this book, a generic model in as far as possible mathematical closed-formis developed that predicts the behavior of large self-organizing robot groups (robot swarms) based on their control algorithm. In addition, an extensive subsumption of the relatively young and distinctive interdisciplinary research field of swarm robotics is emphasized. The connection to many related fields is highlighted and the concepts and methods borrowed from these fields are described shortly.

Systematic Nomenclature Of Organic Chemistry

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Author : D. Hellwinkel
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Systematic Nomenclature Of Organic Chemistry written by D. Hellwinkel and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

Hellwinkel gives a short and general introduction to the systematic nomenclature of organic compounds. On the basis of carefully selected examples it offers simple and concise guidelines for the generation of systematic compound names as codified by the IUPAC rules. Besides the most common compound classes important special areas such as cyclophanes, carbohydrates, organometallic and isotopically modified compounds and stereochemical specifications are dealt with. In cases where there is not yet a finalised set of IUPAC rules, possibilities for logical and desirable extensions of existing rules are outlined. Likewise, deviations from Chemical Abstracts and Beilstein index names are noted, if significant. The German version (4th edition) is meanwhile a longseller.

Understanding Nmr Spectroscopy

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Author : James Keeler
language : en
Publisher: John Wiley & Sons
Release Date : 2011-09-19

Understanding Nmr Spectroscopy written by James Keeler and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-19 with Science categories.

This text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually ‘work’. This revised and updated edition takes the same approach as the highly-acclaimed first edition. The text concentrates on the description of commonly-used experiments and explains in detail the theory behind how such experiments work. The quantum mechanical tools needed to analyse pulse sequences are introduced set by step, but the approach is relatively informal with the emphasis on obtaining a good understanding of how the experiments actually work. The use of two-colour printing and a new larger format improves the readability of the text. In addition, a number of new topics have been introduced: How product operators can be extended to describe experiments in AX2 and AX3 spin systems, thus making it possible to discuss the important APT, INEPT and DEPT experiments often used in carbon-13 NMR. Spin system analysis i.e. how shifts and couplings can be extracted from strongly-coupled (second-order) spectra. How the presence of chemically equivalent spins leads to spectral features which are somewhat unusual and possibly misleading, even at high magnetic fields. A discussion of chemical exchange effects has been introduced in order to help with the explanation of transverse relaxation. The double-quantum spectroscopy of a three-spin system is now considered in more detail. Reviews of the First Edition “For anyone wishing to know what really goes on in their NMR experiments, I would highly recommend this book” – Chemistry World “...I warmly recommend for budding NMR spectroscopists, or others who wish to deepen their understanding of elementary NMR theory or theoretical tools” – Magnetic Resonance in Chemistry