Conformations

Conformations PDF Author: Alan E. Tonelli
Publisher: CRC Press
ISBN: 1351336215
Category : Science
Languages : en
Pages : 223

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Book Description
Among the materials found in Nature’s many diverse living organisms or produced by human industry, those made from polymers are dominant. In Nature, they are not only dominant, but they are, as well, uniquely necessary to life. Conformations: Connecting the Chemical Structures and Material Behaviors of Polymers explores how the detailed chemical structures of polymers can be characterized, how their microstructural-dependent conformational preferences can be evaluated, and how these conformational preferences can be connected to the behaviors and properties of their materials. The authors examine the connections between the microstructures of polymers and the rich variety of physical properties they evidence. Detailed polymer architectures, including the molecular bonding and geometries of backbone and side-chain groups, monomer stereo- and regiosequences, comonomer sequences, and branching, are explicitly considered in the analysis of the conformational characteristics of polymers. This valuable reference provides practicing materials engineers as well as polymer and materials science students a means of understanding the differences in behaviors and properties of materials made from chemically distinct polymers. This knowledge can assist the reader design polymers with chemical structures that lead to their desired material behaviors and properties.

Conformations

Conformations PDF Author: Alan E. Tonelli
Publisher: CRC Press
ISBN: 1351336215
Category : Science
Languages : en
Pages : 223

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Book Description
Among the materials found in Nature’s many diverse living organisms or produced by human industry, those made from polymers are dominant. In Nature, they are not only dominant, but they are, as well, uniquely necessary to life. Conformations: Connecting the Chemical Structures and Material Behaviors of Polymers explores how the detailed chemical structures of polymers can be characterized, how their microstructural-dependent conformational preferences can be evaluated, and how these conformational preferences can be connected to the behaviors and properties of their materials. The authors examine the connections between the microstructures of polymers and the rich variety of physical properties they evidence. Detailed polymer architectures, including the molecular bonding and geometries of backbone and side-chain groups, monomer stereo- and regiosequences, comonomer sequences, and branching, are explicitly considered in the analysis of the conformational characteristics of polymers. This valuable reference provides practicing materials engineers as well as polymer and materials science students a means of understanding the differences in behaviors and properties of materials made from chemically distinct polymers. This knowledge can assist the reader design polymers with chemical structures that lead to their desired material behaviors and properties.

Organic Chemistry Workbook Series: Volume 4: Conformations

Organic Chemistry Workbook Series: Volume 4: Conformations PDF Author: Glenn Sammis
Publisher: ORCA Workbooks Publishing
ISBN: 1777203635
Category : Science
Languages : en
Pages : 68

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Book Description
The idea of conformation, or orientation of molecular shapes in space, is a fundamental concept in organic chemistry. Are you gauche enough to admit that you can’t tell a chair from a boat? This workbook, written by two award-winning instructors from the University of British Columbia, will help you identify and, more importantly, draw critical views and shapes such as the Newman projection, the anti and gauche conformations of alkanes and cyclohexane ring-flipping between one chair form and another. This workbook can be used in conjunction with any textbook.

Structures and Conformations of Non-Rigid Molecules

Structures and Conformations of Non-Rigid Molecules PDF Author: J. Laane
Publisher: Springer Science & Business Media
ISBN: 9401120749
Category : Science
Languages : en
Pages : 640

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Book Description
From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.

Conformational Analysis

Conformational Analysis PDF Author: G Chiurdoglu
Publisher: Elsevier
ISBN: 0323157319
Category : Science
Languages : en
Pages : 293

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Book Description
Conformational Analysis: Scope and Present Limitations contains the proceedings of the Brussels International Symposium on Conformational Analysis held in Brussels, Belgium, in September 1969. The papers focus on the theoretical aspects and applications of conformational analysis, such as those concerning the aliphatic and especially the cyclic series. Topics covered include the geometry of five-membered rings; conformational transmission in steroids; conformational aspects of N-quaternization; and applications of nuclear magnetic resonance spectrometry in conformational studies of cyclohexane derivatives. This book is comprised of 20 chapters and begins with a discussion on the conformational aspects of some five-membered ring compounds based mainly on observed (diffraction methods) and calculated torsional angles. The reader is then introduced to nuclear magnetic resonance studies of the conformations and conformational barriers in cyclic molecules; conformational studies of six-membered heterocycles; conformational transmission in steroids; and solvolytic cyclizations involving double bonds. The remaining chapters explore the conformational analysis of methylcyclohexane, cyclohexane systems, and carbonium ions; conformations of membrane-active cyclodepsipeptides; energetics of isomeric transition states and competitive reaction pathways in conformational analysis; and conformational aspects of the reaction of the 1-methylcyclodecane-l,6-diols with acid. This monograph will be of interest to organic chemists.

Bioactive Conformation II

Bioactive Conformation II PDF Author: Thomas Peters
Publisher: Springer
ISBN: 3540490809
Category : Science
Languages : en
Pages : 244

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Book Description
This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports on chemistry, each written by the world renowned experts. The volume is still valid and useful after five or ten years. More information, as well as the electronic version of the whole content, is available at: springerlink.com.

Molecular Similarity in Drug Design

Molecular Similarity in Drug Design PDF Author: P.M. Dean
Publisher: Springer Science & Business Media
ISBN: 9401113505
Category : Science
Languages : en
Pages : 358

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Book Description
Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.

Introduction to Stereochemistry

Introduction to Stereochemistry PDF Author: Torsten Schmiermund
Publisher: Springer Nature
ISBN: 3658320354
Category : Science
Languages : en
Pages : 56

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Book Description
Conformal, diastereomers, rotamers, tautomers, anomers: The multitude of terms used in stereochemistry quickly makes this subfield of chemistry confusing. In addition, there are different nomenclatures and different forms of representation (Fischer projection, Haworth ring formula, Newman projection). This essential deals with basic static stereochemistry and gives an overview of the different isomeric forms and nomenclatures. It is thus both a help and a reference book. This Springer essential is a translation of the original German 1st edition essentials, Einführung in die Stereochemie by Torsten Schmiermund, published by Springer Fachmedien Wiesbaden GmbH, part of Springer Nature in 2019. The translation was done with the help of artificial intelligence (machine translation by the service DeepL.com). A subsequent human revision was done primarily in terms of content, so that the book will read stylistically differently from a conventional translation. Springer Nature works continuously to further the development of tools for the production of books and on the related technologies to support the authors.

Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning

Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning PDF Author: Yinglong Miao
Publisher: Frontiers Media SA
ISBN: 2832515126
Category : Science
Languages : en
Pages : 179

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Book Description


Introduction to Plastics Engineering

Introduction to Plastics Engineering PDF Author: Vijay K. Stokes
Publisher: John Wiley & Sons
ISBN: 1119536529
Category : Technology & Engineering
Languages : en
Pages : 1749

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Book Description
The authoritative introduction to all aspects of plastics engineering — offering both academic and industry perspectives in one complete volume. Introduction to Plastics Engineering provides a self-contained introduction to plastics engineering. A unique synergistic approach explores all aspects of material use — concepts, mechanics, materials, part design, part fabrication, and assembly — required for converting plastic materials, mainly in the form of small pellets, into useful products. Thermoplastics, thermosets, elastomers, and advanced composites, the four disparate application areas of polymers normally treated as separate subjects, are covered together. Divided into five parts — Concepts, Mechanics, Materials, Part Processing and Assembly, and Material Systems — this inclusive volume enables readers to gain a well-rounded, foundational knowledge of plastics engineering. Chapters cover topics including the structure of polymers, how concepts from polymer physics explain the macro behavior of plastics, evolving concepts for plastics use, simple mechanics principles and their role in plastics engineering, models for the behavior of solids and fluids, and the mechanisms underlying the stiffening of plastics by embedded fibers. Drawing from his over fifty years in both academia and industry, Author Vijay Stokes uses the synergy between fundamentals and applications to provide a more meaningful introduction to plastics. Examines every facet of plastics engineering from materials and fabrication methods to advanced composites Provides accurate, up-to-date information for students and engineers both new to plastics and highly experienced with them Offers a practical guide to large number of materials and their applications Addresses current issues for mechanical design, part performance, and part fabrication Introduction to Plastics Engineering is an ideal text for practicing engineers, researchers, and students in mechanical and plastics engineering and related industries.

Organic Chemistry

Organic Chemistry PDF Author: SOLOMONS.
Publisher: John Wiley & Sons
ISBN: 1119889448
Category :
Languages : en
Pages : 1235

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Book Description