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Perspectives In Theoretical Stereochemistry
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Book Synopsis Perspectives in Theoretical Stereochemistry by : I. Ugi
Download or read book Perspectives in Theoretical Stereochemistry written by I. Ugi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: Stereochemistry is the part of chemistry that relates observable prop erties of chemical compounds to the structure of their molecules, i. e. the relative spatial arrangement of their constituent atoms. In classical stereochemistry, the spatial arrangements relevant for interpreting and predicting a given chemical property are customarily described by geometric features/ symmetries in some suitably chosen rigid model of the molecule The solution of stereochemical problems involving single molecular species is the danain of the geometry based approaches, such as the methods of classical stereochemistry, molecular mechanics and quantum chemistry. The molecules of a pure chemical compound form generally an ensemble of molecular individuals that differ in geometry and energy. Thus it is generally impossible to represent a chemical compund adequately by the geo metry of a rigid molecular model. In modern stereochemistry it is often necessary to analyze molecular relation within ensembles and families of stereoisomers and permutation isomers, including molecules whose geometric features are changing with time. Accordingly, there is definitely a need for new types of ideas, concepts, theories and techniques that are usable beyond the scope of customary methodology. This is why the present text was written.
Book Synopsis Mathematical Stereochemistry by : Shinsaku Fujita
Download or read book Mathematical Stereochemistry written by Shinsaku Fujita and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-09-20 with total page 607 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Methods in Reaction Dynamics by : W. Jakubetz
Download or read book Methods in Reaction Dynamics written by W. Jakubetz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.
Book Synopsis Reduced Density Matrices by : A.J. Coleman
Download or read book Reduced Density Matrices written by A.J. Coleman and published by Springer Science & Business Media. This book was released on 2000-04-14 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: The authors demonstrate that the essential information about order in, and energy levels of physical systems is encapsulated in the second order reduced density matrix. They have discovered an algorithm to obtain a reasonable accurate expression for the 2-matrix of an N-particle state to make nearly all properties of matter which are of interest to chemists and physicists accessible.
Book Synopsis Mathematical Models and Methods for Ab Initio Quantum Chemistry by : M. Defranceschi
Download or read book Mathematical Models and Methods for Ab Initio Quantum Chemistry written by M. Defranceschi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can produce a rather homogeneous presentation of the domain to an uninitiated audience. To the best of our knowledgde, nothing of this kind had never been tempted so far. It seemed to us that it was the good time for doing it, both . because the interest of applied mathematicians into the world of computational chemistry has exponentially increased in the past few years, and because the community of chemists feels more and more concerned with the numerical issues. Indeed, in the early years of Quantum Chemistry, the pioneers (Coulson, Mac Weeny, just to quote two of them) used to solve fundamental equations modelling toy systems which could be simply numerically handled in view of their very limited size. The true difficulty arose with the need to model larger systems while possibly taking into account their interaction with their environment. Hand calculations were no longer possible, and computing science came into the picture.
Book Synopsis Reaction and Molecular Dynamics by : A. Lagana
Download or read book Reaction and Molecular Dynamics written by A. Lagana and published by Springer Science & Business Media. This book was released on 2000-11-27 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.
Download or read book Stereochemistry written by Jesse Grundy and published by . This book was released on 1964 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Symmetry written by István Hargittai and published by Elsevier. This book was released on 2014-05-23 with total page 1068 pages. Available in PDF, EPUB and Kindle. Book excerpt: International Series in Modern Applied Mathematics and Computer Science, Volume 10: Symmetry: Unifying Human Understanding provides a tremendous scope of "symmetry, covering subjects from fractals through court dances to crystallography and literature. This book discusses the limits of perfection, symmetry as an aesthetic factor, extension of the Neumann-Minnigerode-Curie principle, and symmetry of point imperfections in solids. The symmetry rules for chemical reactions, matching and symmetry of graphs, mosaic patterns of H. J. Woods, and bilateral symmetry in insects are also elaborated. This text likewise covers the crystallographic patterns, Milton's mathematical symbol of theodicy, symmetries of soap films, and gapon formalism. This volume is a good source for researchers and specialists concerned with symmetry.
Book Synopsis Theoretical Chemistry Accounts by : Christopher Cramer
Download or read book Theoretical Chemistry Accounts written by Christopher Cramer and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: For the New Century Issue of the journal "Theroretical Chemistry Accounts" the advisory editors identified papers from the first century of theoretical chemistry and discussed their importance for the twentieth century with an eye towards the twenty-first century. Sixty-six such perspectives are published in the New Century Issue. To make this unique collection available to younger scientists for entertaining reading and re-reading of the original publications, the publisher decided to reprint a special edition of the issue.
Book Synopsis Organic Chemistry: The Name Game by : Alex Nickon
Download or read book Organic Chemistry: The Name Game written by Alex Nickon and published by Elsevier. This book was released on 2013-10-22 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic Chemistry: The Name Game: Modern Coined Terms and their Origins is a lighthearted take on the usually difficult and systematic nomenclature found in organic chemistry. However, despite the lightheartedness, the book does not lose its purpose, which is to serve as a source of information on this particular subject of organic chemistry. The book, arranged into themes, discusses some organic compounds and how they are named based on their structure, makeup, and components. The text also explains the use of Greek and Latin prefixes in nomenclature and many other principles in nomenclature. The book also includes an appendix that contains very useful information on nomenclature, such as the etymology of certain element and chemical names, numerical prefixes, and the Greek alphabet. The text is not only for students who wish to be familiarized with a different style of organic chemistry nomenclature, but also for professors who aim to give students an enjoyable yet memorable learning experience.
Book Synopsis Mathematical Stereochemistry by : Shinsaku Fujita
Download or read book Mathematical Stereochemistry written by Shinsaku Fujita and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-09-20 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Advances in Natural Product Chemistry by : Atta-ur- Rahman
Download or read book Advances in Natural Product Chemistry written by Atta-ur- Rahman and published by Taylor & Francis. This book was released on 1992 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 1992. Routledge is an imprint of Taylor & Francis, an informa company.
Book Synopsis New Developments in Molecular Chirality by : Paul G. Mezey
Download or read book New Developments in Molecular Chirality written by Paul G. Mezey and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular chirality is one of the fundamental aspects of chemistry. Chirality properties of molecules have implications in a wide variety of subjects, ranging from the basic quantum mechanical properties of simple of a few atoms to molecular optical activity, asymmetric synthesis, systems and the folding pattern of proteins. Chirality, in both the geometrical and the topological sense, has also been the subject of investigations in various branches of mathematics. In particular, new developments in a branch of topology, called knot theory, as well as in various branches of discrete mathematics, have led to a novel perspective on the topological aspects of molecular chirality. Some of the mathematical advances have already found applications to the interpretation of new concepts in theoretical chemistry and mathematical chemistry, as well as to novel synthetic approaches leading to new molecules of exceptional structural properties. Some of the new developments in molecular chirality have been truly fundamental to the theoretical understanding and to the actual practice of many aspects of chemistry. The progress in this field has been very rapid, even accelerating in recent years, and a review appears more than justified. This book offers a selection of subjects covering some of the latest developments. Our primary aim is to clarify some of the basic concepts that are the most prone to misinterpretation and to provide brief introductions to some of those subjects that are expected to have further, important contributions to our understanding of molecular properties and chemical reactivity.
Book Synopsis Natural Product Chemistry by : T.I. Atta-Ur-Rahman
Download or read book Natural Product Chemistry written by T.I. Atta-Ur-Rahman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy by : David A. Lightner
Download or read book Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy written by David A. Lightner and published by John Wiley & Sons. This book was released on 2000-03-31 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unter Zirkulardichroismus (CD) versteht man die spezifisch unterschiedliche Absorption von links- und rechtszirkular polarisiertem Licht durch bestimmte Moleküle. CD-Effekte lassen sich in Abhängigkeit von der Wellenlänge messen und spektroskopisch auswerten; sie geben beispielsweise Auskunft über die Konformation organischer Verbindungen. Dieses Buch richtet sich an den organischen Chemiker, der mit den Grundprinzipien der Stereochemie vertraut ist, und erläutert die Anwendung der CD-Spektroskopie zur Konformationsanalyse ausführlich und verständlich. (06/00)
Book Synopsis Computer Simulations of Protein Structures and Interactions by : Serafin Fraga
Download or read book Computer Simulations of Protein Structures and Interactions written by Serafin Fraga and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein engineering endeavors to design new peptides and proteins or to change the structural and/or functional characteristics of existing ones for specific purposes, opening the way for the development of new drugs. This work develops in a comprehensive way the theoretical formulation for the methods used in computer-assisted modeling and predictions, starting from the basic concepts and proceeding to the more sophisticated methods, such as Monte Carlo and molecular dynamics. An evaluation of the approximations inherent to the simulations will allow the reader to obtain a perspective of the possible deficiencies and difficulties and approach the task with realistic expectations. Examples from the authors laboratories, as well as from the literature provide useful information.
Book Synopsis The Topological Model of Genome and Evolution by : Pradeep Chhaya
Download or read book The Topological Model of Genome and Evolution written by Pradeep Chhaya and published by Springer Nature. This book was released on with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt:
