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Shape in Chemistry
  • Language: en
  • Pages: 248

Shape in Chemistry

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Pauling's Legacy
  • Language: en
  • Pages: 783

Pauling's Legacy

  • Type: Book
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  • Published: 1999-03-31
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  • Publisher: Elsevier

Theory and experiment in chemistry today provide a wealth of data, but such data have no meaning unless they are correctly interpreted by sound and transparent physical models. Linus Pauling was a grandmaster in the modelling of molecular properties. Indeed, many of his models have served chemistry for decades and that has been his lasting legacy for chemists all over the world. The aim of this book is to put such simple models into the language of modern quantum chemistry, thus providing a deeper justification for many of Pauling's ideas and concepts. However, it should be stressed that many contributions to this work, written by some of the world's most prominent theoretical chemists, do not merely follow Pauling's footprints. By taking his example, they made bold leaps forward to overcome the limitations of the old models, thereby opening new scientific vistas. This book is an important contribution to the chemical literature. It is an almost obligatory textbook for postgraduate students and postdoctoral researchers in physical chemistry, chemical physics and advanced physical organic chemistry.

New Theoretical Concepts for Understanding Organic Reactions
  • Language: en
  • Pages: 403

New Theoretical Concepts for Understanding Organic Reactions

People who attended the NATO Advanced Study Institute (ASI) entitled NEW THEORETICAL CONCEPTS FOR UNDERSTANDING ORGANIC REAC TIONS held at Sant Feliu de Gufxols on the Costa Brava of Spain had a unique experience. They have seen the evolution of the field from qualitative arguments through the generation of Potential Energy Surfaces (PES) to the use of PES in molecular dynamics. The excellent lectures that were dedicated to the various aspects of Potential Energy Surfaces clearly revealed a colossal amount of ma terial that represents our current understanding of the overall problem. It is our hope that the present volume will recreate the excitement in the readers that we all experienced du...

Discrete Mathematical Chemistry
  • Language: en
  • Pages: 418

Discrete Mathematical Chemistry

Twenty-nine papers from the March 1998 workshop connect issues between chemistry, discrete mathematics, and computer science. Participants discussed theoretical problems of chemistry expressed by discrete mathematics, chemical graph algorithms, coding theory applied to chemistry, applications of discrete mathematics in the chemical industry, open problems and directions for research in discrete mathematical chemistry, and software for discrete mathematical chemistry. Specific topics include isomorphism rejection in structure generation programs, fast embeddings for planar molecular graphs, geometric symmetry and chemical equivalence, and numerical solution of the Laplace equation in chemical space. Annotation copyrighted by Book News, Inc., Portland, OR.

Advances in Molecular Structure Research
  • Language: en
  • Pages: 393

Advances in Molecular Structure Research

  • Type: Book
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  • Published: 1998-08-02
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  • Publisher: Elsevier

This volume is the fourth in the series and offers both quality and breadth. As a whole it reflects two increasingly discernible trends in modern structural chemistry. One trend is that parallel to the ever increasing specialization of techniques, there is a strong interaction between the techniques. This interaction crosses the boundaries between various experiments, between the experiments and computations, experiments and theory, and organic and inorganic chemistry. The other trend is the ever increasing penetration of the most modern aspects of structural chemistry the rest of chemistry, making the demarkation of structural chemistry increasingly fuzzy which is the most welcome development from a structural chemist's point of view.

Applications of Topological Methods in Molecular Chemistry
  • Language: en
  • Pages: 582

Applications of Topological Methods in Molecular Chemistry

  • Type: Book
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  • Published: 2016-04-19
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  • Publisher: Springer

This is the first edited volume that features two important frameworks, Hückel and quantum chemical topological analyses. The contributors, which include an array of academics of international distinction, describe recent applications of such topological methods to various fields and topics that provide the reader with the current state-of-the-art and give a flavour of the wide range of their potentialities.

Modeling Complex Data for Creating Information
  • Language: en
  • Pages: 298

Modeling Complex Data for Creating Information

J.-E DUBOIS and N. GERSHON As with Volume 1 in this series, this book was inspired by the Symposium on "Communications and Computer Aided Systems" held at the 14th International CODATA Conference in September 1994 in Chambery, France. This book was conceived and influenced by the discussions at the Symposium and most of the contributions were written following the Conference. Whereas the first volume dealt with the numerous challenges facing the information revolution, especially its communication aspects, this one provides an insight into the recent tools provided by computer science for handling the complex aspects of scientific and technological data. This volume, "Modeling Complex Data f...

Molecules in Physics, Chemistry, and Biology
  • Language: en
  • Pages: 699

Molecules in Physics, Chemistry, and Biology

Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences

Emerging Technologies and Information Systems for the Knowledge Society
  • Language: en
  • Pages: 627

Emerging Technologies and Information Systems for the Knowledge Society

  • Type: Book
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  • Published: 2008-09-20
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  • Publisher: Springer

It is a great pleasure to share with you the Springer LNCS proceedings of the First World Summit on the Knowledge Society - WSKS 2008 that was organized by the Open Research Society, NGO, http://www.open-knowledge-society.org, and took place in the American College of Greece, http://www.acg.gr, during September 24–27, 2008, in Athens, Greece. The World Summit on the Knowledge Society Series is an international attempt to promote a dialogue on the main aspects of a knowledge society toward a better world for all based on knowledge and learning. The WSKS Series brings together academics, people from industry, policy makers, politicians, government officers and active citizens to look at the ...

The Open Knowledge Society
  • Language: en
  • Pages: 779

The Open Knowledge Society

It is a great pleasure to share with you the Springer CCIS proceedings of the First World Summit on the Knowledge Society - WSKS 2008 that was organized by the Open Research Society, NGO, http://www.open-knowledge-society.org, and hosted by the American College of Greece, http://www.acg.gr, during September 24–27, 2008, in Athens, Greece. The World Summit on the Knowledge Society Series is an international attempt to promote a dialogue on the main aspects of a knowledge society toward a better world for all based on knowledge and learning. The WSKS Series brings together academics, people from industry, policy makers, politicians, government officers and active citizens to look at the impa...