Author: Scott E. Denmark
Publisher: John Wiley & Sons
ISBN: 0470147539
Category : Science
Languages : en
Pages : 332
Book Description
Since it was first published in 1967, the highly regarded Topics in Stereochemistry series has consistently reflected the state of the art in the field and provided readers with a coherent framework for the conceptual, theoretical, and practical aspects of modern stereochemistry. With the new series editor, Scott E. Denmark, at the helm, Volume 22 continues to offer important insights into the evolution of stereochemistry and its future direction. Written by internationally recognized leaders in their respective fields, this volume introduces readers to some of the most intensely studied topics in research laboratories today. Along with the fundamental principles of chirality, the authors describe exciting new applications of stereochemistry in synthetic organic, physical organic, and bioorganic chemistry. They cover cutting-edge research in areas such as asymmetric catalysis, reactions with catalytic antibodies, and stereoelectronic control of organic reactions. In addition, a feature chapter provides a critical analysis of the concepts of molecular chirality. Timely and authoritative, Topics in Stereochemistry, Volume 22, features over 120 illustrations and a cumulative index covering Volumes 1 through 22. It is an essential resource for organic chemists involved in synthesis as well as those in the physical and bioorganic areas of organic chemistry. Volume 22 relaunches this highly respected series, providing a timely, valuable reference to the theory and practice of stereochemistry. Cutting-edge topics include: * Foundations of molecular and topological chirality. * Stereoselective reactions with catalytic antibodies. * Stereoelectronic effects of the group 4 metal substituents in organic chemistry. * Asymmetric catalysis with the new class of chiral lanthanoid complexes. * Basic principles of the exciting new area of asymmetric amplification.
Topics in Stereochemistry, Volume 22
Author: Scott E. Denmark
Publisher: John Wiley & Sons
ISBN: 0470147539
Category : Science
Languages : en
Pages : 332
Book Description
Since it was first published in 1967, the highly regarded Topics in Stereochemistry series has consistently reflected the state of the art in the field and provided readers with a coherent framework for the conceptual, theoretical, and practical aspects of modern stereochemistry. With the new series editor, Scott E. Denmark, at the helm, Volume 22 continues to offer important insights into the evolution of stereochemistry and its future direction. Written by internationally recognized leaders in their respective fields, this volume introduces readers to some of the most intensely studied topics in research laboratories today. Along with the fundamental principles of chirality, the authors describe exciting new applications of stereochemistry in synthetic organic, physical organic, and bioorganic chemistry. They cover cutting-edge research in areas such as asymmetric catalysis, reactions with catalytic antibodies, and stereoelectronic control of organic reactions. In addition, a feature chapter provides a critical analysis of the concepts of molecular chirality. Timely and authoritative, Topics in Stereochemistry, Volume 22, features over 120 illustrations and a cumulative index covering Volumes 1 through 22. It is an essential resource for organic chemists involved in synthesis as well as those in the physical and bioorganic areas of organic chemistry. Volume 22 relaunches this highly respected series, providing a timely, valuable reference to the theory and practice of stereochemistry. Cutting-edge topics include: * Foundations of molecular and topological chirality. * Stereoselective reactions with catalytic antibodies. * Stereoelectronic effects of the group 4 metal substituents in organic chemistry. * Asymmetric catalysis with the new class of chiral lanthanoid complexes. * Basic principles of the exciting new area of asymmetric amplification.
Publisher: John Wiley & Sons
ISBN: 0470147539
Category : Science
Languages : en
Pages : 332
Book Description
Since it was first published in 1967, the highly regarded Topics in Stereochemistry series has consistently reflected the state of the art in the field and provided readers with a coherent framework for the conceptual, theoretical, and practical aspects of modern stereochemistry. With the new series editor, Scott E. Denmark, at the helm, Volume 22 continues to offer important insights into the evolution of stereochemistry and its future direction. Written by internationally recognized leaders in their respective fields, this volume introduces readers to some of the most intensely studied topics in research laboratories today. Along with the fundamental principles of chirality, the authors describe exciting new applications of stereochemistry in synthetic organic, physical organic, and bioorganic chemistry. They cover cutting-edge research in areas such as asymmetric catalysis, reactions with catalytic antibodies, and stereoelectronic control of organic reactions. In addition, a feature chapter provides a critical analysis of the concepts of molecular chirality. Timely and authoritative, Topics in Stereochemistry, Volume 22, features over 120 illustrations and a cumulative index covering Volumes 1 through 22. It is an essential resource for organic chemists involved in synthesis as well as those in the physical and bioorganic areas of organic chemistry. Volume 22 relaunches this highly respected series, providing a timely, valuable reference to the theory and practice of stereochemistry. Cutting-edge topics include: * Foundations of molecular and topological chirality. * Stereoselective reactions with catalytic antibodies. * Stereoelectronic effects of the group 4 metal substituents in organic chemistry. * Asymmetric catalysis with the new class of chiral lanthanoid complexes. * Basic principles of the exciting new area of asymmetric amplification.
New Theoretical Concepts for Understanding Organic Reactions
Author: Juan Bertrán
Publisher: Springer Science & Business Media
ISBN: 9400923139
Category : Science
Languages : en
Pages : 403
Book Description
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 during the meeting in Spain. One can say, without too much exaggeration, that chemistry has become and exercise on potential energy surfaces (PES). Structural (position of the energy minima), spectroscopic (vicinity around the minima), and reactivity (reaction path along the surface) properties may be determined from the analysis of PES. New theoretical tools, together with recent developments in computer technology and programming, have allowed to obtain a better knowledge of these surfaces, and to extract further chemical information from them, so new horizons have been added to Theoretical Organic Chemistry.
Publisher: Springer Science & Business Media
ISBN: 9400923139
Category : Science
Languages : en
Pages : 403
Book Description
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 during the meeting in Spain. One can say, without too much exaggeration, that chemistry has become and exercise on potential energy surfaces (PES). Structural (position of the energy minima), spectroscopic (vicinity around the minima), and reactivity (reaction path along the surface) properties may be determined from the analysis of PES. New theoretical tools, together with recent developments in computer technology and programming, have allowed to obtain a better knowledge of these surfaces, and to extract further chemical information from them, so new horizons have been added to Theoretical Organic Chemistry.
Mathematical Stereochemistry
Author: Shinsaku Fujita
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110728338
Category : Science
Languages : en
Pages : 607
Book Description
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.
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110728338
Category : Science
Languages : en
Pages : 607
Book Description
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.
Lecture Notes in Quantum Chemistry II
Author: Björn O. Roos
Publisher: Springer Science & Business Media
ISBN: 364257890X
Category : Science
Languages : en
Pages : 342
Book Description
The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 • Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction.
Publisher: Springer Science & Business Media
ISBN: 364257890X
Category : Science
Languages : en
Pages : 342
Book Description
The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 • Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction.
Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy
Author: David A. Lightner
Publisher: John Wiley & Sons
ISBN: 9780471354055
Category : Science
Languages : en
Pages : 508
Book Description
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)
Publisher: John Wiley & Sons
ISBN: 9780471354055
Category : Science
Languages : en
Pages : 508
Book Description
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)
New Developments in Molecular Chirality
Author: Paul G. Mezey
Publisher: Springer Science & Business Media
ISBN: 940113698X
Category : Science
Languages : en
Pages : 296
Book Description
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.
Publisher: Springer Science & Business Media
ISBN: 940113698X
Category : Science
Languages : en
Pages : 296
Book Description
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.
Fuzzy Logic in Chemistry
Author: Dennis H. Rouvray
Publisher: Academic Press
ISBN: 008053225X
Category : Science
Languages : en
Pages : 387
Book Description
Fuzzy Logic has gained increasing acceptance as a way to deal with complexity and uncertainty in many areas of science and engineering. This book is the first to address its practical applications to chemical systems. Ten distinguished authors discuss the role of fuzzy logic in the characterization of a variety of chemical concepts, including chirality, quantum systems, molecular engineering and design, and hierarchical classification methods. Fuzzy Logic in Chemistry will appeal to both students and professionals who are seeking to learn more about theory and applications in an area of growing importance to the physical sciences. - The first book on the applications of fuzzy logic in chemistry - Covers a topic relevant to many disciplines, including molecular design - Discusses applications of fuzzy logic to the physical sciences, a rapidly growing area - Features chapters from highly distinguished authors in the physical sciences
Publisher: Academic Press
ISBN: 008053225X
Category : Science
Languages : en
Pages : 387
Book Description
Fuzzy Logic has gained increasing acceptance as a way to deal with complexity and uncertainty in many areas of science and engineering. This book is the first to address its practical applications to chemical systems. Ten distinguished authors discuss the role of fuzzy logic in the characterization of a variety of chemical concepts, including chirality, quantum systems, molecular engineering and design, and hierarchical classification methods. Fuzzy Logic in Chemistry will appeal to both students and professionals who are seeking to learn more about theory and applications in an area of growing importance to the physical sciences. - The first book on the applications of fuzzy logic in chemistry - Covers a topic relevant to many disciplines, including molecular design - Discusses applications of fuzzy logic to the physical sciences, a rapidly growing area - Features chapters from highly distinguished authors in the physical sciences
Methods in Reaction Dynamics
Author: W. Jakubetz
Publisher: Springer Science & Business Media
ISBN: 3642565115
Category : Science
Languages : en
Pages : 206
Book Description
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.
Publisher: Springer Science & Business Media
ISBN: 3642565115
Category : Science
Languages : en
Pages : 206
Book Description
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.
Symmetry
Author: István Hargittai
Publisher: Elsevier
ISBN: 1483149528
Category : Science
Languages : en
Pages : 1068
Book Description
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.
Publisher: Elsevier
ISBN: 1483149528
Category : Science
Languages : en
Pages : 1068
Book Description
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.
Reduced Density Matrices
Author: A.J. Coleman
Publisher: Springer Science & Business Media
ISBN: 9783540671480
Category : Science
Languages : en
Pages : 300
Book Description
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.
Publisher: Springer Science & Business Media
ISBN: 9783540671480
Category : Science
Languages : en
Pages : 300
Book Description
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.