Mathematical Concepts In Organic Chemistry
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Mathematical Concepts In Organic Chemistry
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Author : Ivan Gutman
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Mathematical Concepts In Organic Chemistry written by Ivan Gutman 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 present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, however, does not mean that the mathematical rigor and numerous tedious, but necessary technical details have been avoided. The authors' intention was to show the reader not only how the results of mathematical chemistry look, but also how they can be obtained. In accordance with this, Part 0 of the book contains a few selected advanced topics which should give the reader the flavour of the contemporary research in mathe matical organic chemistry. One of the authors (I.G.) was an Alexander von Humboldt fellow in 1985 when the main part of the book was written. He gratefully acknowledges the financial support of the Alexander von Humboldt Foundation which enabled his stay at the Max-Planck-Institut fUr Strahlenchemie in M iilheim and the writing of this book.
Mathematical Concepts In Organic Chemistry
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Author : Ivan Gutman
language : en
Publisher:
Release Date : 1986-07-01
Mathematical Concepts In Organic Chemistry written by Ivan Gutman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986-07-01 with categories.
Synthon Model Of Organic Chemistry And Synthesis Design
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Author : Jaroslav Koca
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Synthon Model Of Organic Chemistry And Synthesis Design written by Jaroslav Koca 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.
One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design. These lecture notes elaborate the mathematical model of organic chemistry, which offers formal concepts for unambiguous description of computer algorithms for organic synthesis design including retrosynthesis and reaction mechanisms. All definitions and theorems are supplemented by many illustrative examples. The model is closely related to the course of thinking of organic chemists. These notes will be useful for all theoretically oriented organic chemists who are interested in mathematical modelling of organic chemistry and computer-assisted organic synthesis design.
Number Theory
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Author : James Pommersheim
language : en
Publisher: Wiley
Release Date : 2010-02-15
Number Theory written by James Pommersheim and has been published by Wiley this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-02-15 with Mathematics categories.
Number Theory: A Lively Introduction with Proofs, Applications, and Stories, is a new book that provides a rigorous yet accessible introduction to elementary number theory along with relevant applications. Readable discussions motivate new concepts and theorems before their formal definitions and statements are presented. Many theorems are preceded by Numerical Proof Previews, which are numerical examples that will help give students a concrete understanding of both the statements of the theorems and the ideas behind their proofs, before the statement and proof are formalized in more abstract terms. In addition, many applications of number theory are explained in detail throughout the text, including some that have rarely (if ever) appeared in textbooks. A unique feature of the book is that every chapter includes a math myth, a fictional story that introduces an important number theory topic in a friendly, inviting manner. Many of the exercise sets include in-depth Explorations, in which a series of exercises develop a topic that is related to the material in the section.
Mathematical Chemistry And Chemoinformatics
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Author : Adalbert Kerber
language : en
Publisher: Walter de Gruyter
Release Date : 2013-12-12
Mathematical Chemistry And Chemoinformatics written by Adalbert Kerber and has been published by Walter de Gruyter this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-12-12 with Science categories.
More than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary text demonstrating example queries with software packages such as MOLGEN-online Detailed explanations on establishing QSPRs and QSARs as well as structure elucidation using mass spectrometry and structure generation. Aims and Scope This work provides an introduction to mathematical modeling of molecules and the resulting applications (structure generation, structure elucidation, QSAR/QSPR etc.). Most chemists have experimented with some software that represents molecules in an electronic form, and such models and applications are of increasing interest in diverse and growing fields such as drug discovery, environmental science and metabolomics. Furthermore, structure generation remains the only way to systematically create molecules that are not (yet) present in a database. This book starts with the mathematical theory behind representing molecules, explaining chemical concepts in mathematical terms and providing exercises that can be completed online. The later chapters cover applications of the theory, with detailed explanations on QSPR and QSAR investigations and finally structure elucidation combining mass spectrometry and structure generation. This book is aimed in particular at the users of structure generation methods and corresponding techniques, but also for those interested in teaching and learning mathematical chemistry, and for software designers in chemoinformatics.
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.
Advances In Mathematical Chemistry And Applications Volume 2
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Author : Subhash C. Basak
language : en
Publisher: Bentham Science Publishers
Release Date : 2016-01-20
Advances In Mathematical Chemistry And Applications Volume 2 written by Subhash C. Basak and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-01-20 with Mathematics categories.
Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more.
Basic Concepts Of Chemistry
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Author : Leo J. Malone
language : en
Publisher: John Wiley & Sons
Release Date : 1981
Basic Concepts Of Chemistry written by Leo J. Malone 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 1981 with Science categories.
An accessible, student-friendly introduction to chemistry, the newest edition of this popular text helps students tackle the basics of chemistry. It has been revised to improve the logical and flexible flow of topics and to give more of an emphasis on chemical reactions. Extensive math reviews, unique to this text, include worked-out examples and exercises with answers provided to help students review necessary topics. Easy-to-follow examples help students develop the problem-solving skills necessary for chemistry. Frequent testing reinforces these concepts and study skills. The easy-to-read writing style and important pedagogical aids are continued in this edition to help instructors and students cover the basics.
Basic Chemical Concepts And Tables
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Author : Steven L. Hoenig
language : en
Publisher: CRC Press
Release Date : 2019-11-13
Basic Chemical Concepts And Tables written by Steven L. Hoenig and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-11-13 with Science categories.
Written as a quick reference to the many different concepts and ideas encountered in chemistry, Basic Chemical Concepts and Tables presents important subjects in a concise format that makes it a practical resource for any reader. The author covers multiple subjects including general chemistry, inorganic chemistry, organic chemistry, and spectral analysis. Separate chapters offer physical constants and unit measurements commonly encountered and mathematical concepts needed when reviewing or working with basic chemistry concepts. Other features include: Tables that are useful as for the interpretation of ultra-violet (UV), infra-red (IR), nuclear magnetic resonance (NMR) and mass spectroscopy (MS) spectra. Physical constants and unit measurements that are commonly encountered throughout the application of chemistry. Sections devoted to the concept of isomers and polymer structures. Graduate and undergraduate chemistry students, professionals, or instructors looking to refresh their understanding of a chemistry topic will find this ready reference indispensable in their daily work. Written as a quick reference to the many different concepts and ideas encountered in chemistry, Basic Chemical Concepts and Tables presents important subjects in a concise format that makes it a practical resource for any reader. The author covers multiple subjects including general chemistry, inorganic chemistry, organic chemistry, and spectral analysis. Separate chapters offer physical constants and unit measurements commonly encountered and mathematical concepts needed when reviewing or working with basic chemistry concepts. Other features include: Tables that are useful as for the interpretation of ultra-violet (UV), infra-red (IR), nuclear magnetic resonance (NMR) and mass spectroscopy (MS) spectra. Physical constants and unit measurements that are commonly encountered throughout the application of chemistry. Sections devoted to the concept of isomers and polymer structures. Graduate and undergraduate chemistry students, professionals, or instructors looking to refresh their understanding of a chemistry topic will find this ready reference indispensable in their daily work.
Chemical Calculations At A Glance
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Author : Paul Yates
language : en
Publisher: John Wiley & Sons
Release Date : 2009-02-05
Chemical Calculations At A Glance written by Paul Yates 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 2009-02-05 with Science categories.
It is now possible to enter a chemistry degree course at many UKuniversities without any formal maths training beyond age 16.Addressing this deficiency requires students to take additionalmathematics training when entering university, yet the relevance ofmaths to chemistry is often poorly appreciated by chemistrystudents. In addition, many service courses are either tooabstract, or aimed at physicists and engineers, for students ofchemistry, who are not inclined to study mathematical techniquesper se and do not make the connection between the maths theyare taught and the chemistry they want to study. Based on the successful at a Glance approach, withintegrated double page presentations explaining the mathematicsrequired by undergraduate students of chemistry, set in context bydetailed chemical examples, this book will be indispensable to allstudents of chemistry. By bringing the material together in thisway the student is shown how to apply the maths and how it relatesto familiar concepts in chemistry. By including problems (withanswers) on each presentation, the student is encouraged topractice both the mathematical manipulations and the application toproblems in chemistry. More detailed chemical problems at the endof each topic illustrate the range of chemistry to which the mathsis relevant and help the student acquire sufficient confidence toapply it when necessary.