Symmetry And Combinatorial Enumeration In Chemistry

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Symmetry And Combinatorial Enumeration In Chemistry

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Author : Shinsaku Fujita
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Symmetry And Combinatorial Enumeration In Chemistry written by Shinsaku Fujita 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.

This book is written to introduce a new approach to stereochemical problems and to combinatorial enumerations in chemistry. This approach is based on group the ory, but different from conventional ways adopted by most textbooks on chemical group theory. The difference sterns from their starting points: conjugate subgroups and conjugacy classes. The conventional textbooks deal with linear representations and character ta bles of point groups. This fact implies that they lay stress on conjugacy classesj in fact, such group characters are determined for the respective conjugacy classes. This approach is versatile, since conjugacy classes can be easily obtained by ex amining every element of a group. It is unnecessary to know the group-subgroup relationship of the group, which is not always easy to obtain. The same situa tion is true for chemical enumerations, though these are founded on permutation groups. Thus, the P6lya-Redfield theorem (1935 and 1927) uses a cycle index that is composed of terms associated with conjugacy classes.

Combinatorial Organic Chemistry

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Author : Sherif El-Basil
language : en
Publisher: Nova Publishers
Release Date : 2000

Combinatorial Organic Chemistry written by Sherif El-Basil and has been published by Nova Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Medical categories.

This is a book which considers several isomer-enumeration methods in organic chemistry. Three main topics are exemplified here: viz., theorem of polya, coset representation theory and marks of a group (method of Fujita) and wreath and generalized wreath product groups (method of Balasubramanian). Rigorous proofs have been replaced by an example-oriented, intuitive approach which exposes many problems of real chemical importance.

Chemical Modelling

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Author : Alan Hinchliffe
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31

Chemical Modelling written by Alan Hinchliffe and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-31 with Science categories.

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Mathematical Stereochemistry

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Author : Shinsaku Fujita
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2021-09-20

Mathematical Stereochemistry written by Shinsaku Fujita and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-20 with Science categories.

Chirality and stereogenicity are closely related concepts and their differentiation and description is still a challenge in chemoinformatics. In his 2015 book, Fujita developed a new stereoisogram approach that provided theoretical framework for mathematical aspects of modern stereochemistry. This new edition includes a new chapter on Computer-Oriented Representations developed by the author based on Groups, Algorithms, Programming (GAP) system.

Handbook Of Chemoinformatics Algorithms

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Author : Jean-Loup Faulon
language : en
Publisher: CRC Press
Release Date : 2010-04-21

Handbook Of Chemoinformatics Algorithms written by Jean-Loup Faulon and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-04-21 with Computers categories.

Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source.After a historical persp

Graph Theoretical Approaches To Chemical Reactivity

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

Graph Theoretical Approaches To Chemical Reactivity written by Danail D. Bonchev 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.

The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic structure to molecular geometry have not progressed at the same pace. There is a continuing need in chemistry for simple concepts and qualitatively clear pictures that are also quantitatively comparable to ab initio quantum chemical calculations. Topological methods and, more specifically, graph theory as a fixed-point topology, provide in principle a chance to fill this gap. With its more than 100 years of applications to chemistry, graph theory has proven to be of vital importance as the most natural language of chemistry. The explosive development of chemical graph theory during the last 20 years has increasingly overlapped with quantum chemistry. Besides contributing to the solution of various problems in theoretical chemistry, this development indicates that topology is an underlying principle that explains the success of quantum mechanics and goes beyond it, thus promising to bear more fruit in the future.

Chemical Group Theory

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Author : Danail Bonchev
language : en
Publisher: Taylor & Francis
Release Date : 1995

Chemical Group Theory written by Danail Bonchev and has been published by Taylor & Francis this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Art categories.

First Published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.

Issues In Chemistry And General Chemical Research 2013 Edition

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Author :
language : en
Publisher: ScholarlyEditions
Release Date : 2013-05-01

Issues In Chemistry And General Chemical Research 2013 Edition written by and has been published by ScholarlyEditions this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-05-01 with Science categories.

Issues in Chemistry and General Chemical Research: 2013 Edition is a ScholarlyEditions™ book that delivers timely, authoritative, and comprehensive information about Chirality. The editors have built Issues in Chemistry and General Chemical Research: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chirality in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemistry and General Chemical Research: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

From Chemical Topology To Three Dimensional Geometry

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Author : Alexandru T. Balaban
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11

From Chemical Topology To Three Dimensional Geometry written by Alexandru T. Balaban 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 2006-04-11 with Science categories.

Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.

Combinatorics And Graph Theory

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Author : John Harris
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-04-03

Combinatorics And Graph Theory written by John Harris 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 2009-04-03 with Mathematics categories.

There are certain rules that one must abide by in order to create a successful sequel. — Randy Meeks, from the trailer to Scream 2 While we may not follow the precise rules that Mr. Meeks had in mind for s- cessful sequels, we have made a number of changes to the text in this second edition. In the new edition, we continue to introduce new topics with concrete - amples, we provide complete proofs of almost every result, and we preserve the book’sfriendlystyle andlivelypresentation,interspersingthetextwith occasional jokes and quotations. The rst two chapters, on graph theory and combinatorics, remain largely independent, and may be covered in either order. Chapter 3, on in nite combinatorics and graphs, may also be studied independently, although many readers will want to investigate trees, matchings, and Ramsey theory for nite sets before exploring these topics for in nite sets in the third chapter. Like the rst edition, this text is aimed at upper-division undergraduate students in mathematics, though others will nd much of interest as well. It assumes only familiarity with basic proof techniques, and some experience with matrices and in nite series. The second edition offersmany additionaltopics for use in the classroom or for independentstudy. Chapter 1 includesa new sectioncoveringdistance andrelated notions in graphs, following an expanded introductory section. This new section also introduces the adjacency matrix of a graph, and describes its connection to important features of the graph.