Understanding Molecular Properties
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Understanding Molecular Properties
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Author : John S. Avery
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Understanding Molecular Properties written by John S. Avery 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 Theory of Atomic Spectra", surrrrnanzlllg all that was then known about the quantum theory of free atoms; and in 1961, J.S. Griffith published "The Theory of Transition Metal Ions", in which he combined the ideas in Condon and Shortley's book with those of Bethe, Schlapp, Penney and Van Vleck. All this work, however, was done by physicists, and the results were reported in a way which was more accessable to physicists than to chemists. In the meantime, Carl J. Ballhausen had been studying quantum theory with W. Moffitt at Harvard; and in 1962 (almost simultaneously with Griffith) he published his extremely important book, "Introduction to Ligand Field Theory". This influential book was written from the standpoint of a chemist, and it became the standard work from which chemists learned the quantum theory of transition metal complexes. While it treated in detail the group theoretical aspects of crystal field theory, Carl J. Ballhausen's book also emphasized the limitations of the theory. As he pointed out, it is often not sufficient to treat the central metal ion as free (apart from the influence of the charges on the surrounding ligands): - In many cases hybridization of metal and ligand orbitals is significant. Thus, in general. a molecular orbital treatment is needed to describe transition metal complexes. However, much of the group theory developed In connection with crystal field theory can also be used in the molecular orbital treatment.
Understanding Molecular Biology
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Author : Rajiv Tyagi
language : en
Publisher: Discovery Publishing House
Release Date : 2009
Understanding Molecular Biology written by Rajiv Tyagi and has been published by Discovery Publishing House this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Molecular biology categories.
Molecular Structure
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Author : Norman L. Allinger
language : en
Publisher: John Wiley & Sons
Release Date : 2010-12-15
Molecular Structure written by Norman L. Allinger 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 2010-12-15 with Science categories.
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Understanding Molecular Simulation
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Author : Daan Frenkel
language : en
Publisher: Elsevier
Release Date : 2023-07-13
Understanding Molecular Simulation written by Daan Frenkel and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-07-13 with Science categories.
Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition's publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed. - Fully updated guide to both the current state and latest developments in the field of molecular simulation, including added and expanded information on such topics as molecular dynamics and statistical assessment of simulation results - Gives a rounded overview by showing fundamental background information in practice via new examples in a range of key fields - Provides online access to new data, algorithms and tutorial slides to support and encourage practice and learning
Understanding Molecular Simulation
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Author : Daan Frenkel
language : en
Publisher: Elsevier
Release Date : 2001-10-19
Understanding Molecular Simulation written by Daan Frenkel and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-10-19 with Science categories.
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Understanding Molecules
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Author : Franco Battaglia
language : en
Publisher: CRC Press
Release Date : 2018-09-03
Understanding Molecules written by Franco Battaglia and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-09-03 with Science categories.
Chemistry is a subject that many students with differing goals have to tackle. This unique general chemistry textbook is tailored to more mathematically-oriented engineering or physics students. The authors emphasize the principles underlying chemistry rather than chemistry itself and the almost encyclopedic completeness appearing in a common textbook of general chemistry is sacrificed for an emphasis to these principles. Contained within 300 pages, it is suitable for a one-semester course for students who have a strong background in calculus. Over 200 problems with answers are provided so that the students can check their progress.
Understanding Medicinal Plants
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Author : Bryan Hanson
language : en
Publisher: Routledge
Release Date : 2013-01-11
Understanding Medicinal Plants written by Bryan Hanson and has been published by Routledge this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-11 with Health & Fitness categories.
Learn how medicinal plants work from the chemical level upward Understanding Medicinal Plants: Their Chemistry and Therapeutic Action is designed to teach the chemical concepts necessary to understand the actions of medicinal plants to people who are intimidated by chemistry. This beautifully illustrated, accessibly written guide explores the molecules of medicinal plants and the pharmacology behind their actions on the human body. The book will be valuable to non-science majors, biology majors, interested scientists of different disciplines, and practitioners and students of herbalism and complementary medicine. Understanding Medicinal Plants covers the essentials, including: understanding the symbolism of chemical structure bondingand predicting useful properties important plant compounds isolation and purification of plant molecules drug delivery and action in the human body the chemistry of antioxidants identification of plant molecules Interest in alternative medicine and herbal products has never been higher than it is now. Understanding Medicinal Plants aims for the middle ground between technical manuals for highly trained individuals and books for the general public that may oversimplify the material. This introductory work provides you with a wealth of suggested reading materials, tables, figures, and illustrations. Three case studies illustrate specific plant drugs and their molecular constituents. This resource also provides an extensive glossary for easy reference. In Understanding Medicinal Plants, you will find a lexicon of medicinally important chemical families found in plants to help you identify and understand the role of constituents such as: alkaloids flavonoids coumarins glycosides amino acids lignans tannins and many more Understanding Medicinal Plants enriches your knowledge of the science behind herbalism and increases your savvy as a consumer of herbal products. This sourcebook will help you better understand the debates about the regulation of medicinal plants and related health care policy debates. With this book, you will be able to interpret media hype about medicinal plants with greater confidence.
Understanding Solids
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Author : Richard J. D. Tilley
language : en
Publisher: John Wiley & Sons
Release Date : 2013-03-22
Understanding Solids written by Richard J. D. Tilley 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 2013-03-22 with Technology & Engineering categories.
The second edition of a modern introduction to the chemistry and physics of solids. This textbook takes a unique integrated approach designed to appeal to both science and engineering students. Review of 1st edition “an extremely wide-ranging, useful book that is accessible to anyone with a firm grasp of high school science...this is an outstanding and affordable resource for the lifelong learner or current student.” Choice, 2005 The book provides an introduction to the chemistry and physics of solids that acts as a foundation to courses in materials science, engineering, chemistry, and physics. It is equally accessible to both engineers and scientists, through its more scientific approach, whilst still covering the material essential to engineers. This edition contains new sections on the use of computing methods to solve materials problems and has been thoroughly updated to include the many developments and advances made in the past 10 years, e.g. batteries, solar cells, lighting technology, lasers, graphene and graphene electronics, carbon nanotubes, and the Fukashima nuclear disaster. The book is carefully structured into self-contained bite-sized chapters to enhance student understanding and questions have been designed to reinforce the concepts presented. The supplementary website includes Powerpoint slides and a host of additional problems and solutions.
Molecular Physics And Elements Of Quantum Chemistry
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Author : Hermann Haken
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18
Molecular Physics And Elements Of Quantum Chemistry written by Hermann Haken 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 2013-04-18 with Science categories.
Since the publication of the first edition of this book, there have been many im portant new developments in the field of molecular physics. The new methods and results which are most significant for students are treated extensively in this second edition. Among these are in particular single-molecule spectroscopy and the field of molecular electronics, which is in a stage of rapid development, including the areas of electroluminescence and organic light-emitting diodes. In addition, we have ex tended and corrected the earlier material in a number of places. We have also included exercises in this new edition; they will allow students to deepen their understanding and offer a basis for further individual study. The complete solutions to the exercises can be found on the Internet under www. springeronline. com/3-540-40792-S. We are grateful to Mr. C. -D. Bachem and Dr. Th. Schneider of the Springer Verlag for their continuous and very agreeable cooperation during the preparation of the book. We thank our colleague Prof. W. D. Brewer for his competent translation. Stuttgart, February 2004 H. Haken . H. C. Wolf Preface to the First Edition This textbook is intended for use by students of physics, physical chemistry, and theoretical chemistry. The reader is presumed to have a basic knowledge of atomic and quantum physics at the level provided, for example, by the first few chapters in our book The Physics of Atoms and Quanta.
Molecular Structural Models Unveiled A Comprehensive Guide For Organic Chemistry
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Author : Pasquale De Marco
language : en
Publisher: Pasquale De Marco
Release Date : 2025-07-14
Molecular Structural Models Unveiled A Comprehensive Guide For Organic Chemistry written by Pasquale De Marco and has been published by Pasquale De Marco this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-14 with Science categories.
Embark on a captivating journey into the realm of molecular structures with "Molecular Structural Models Unveiled: A Comprehensive Guide for Organic Chemistry." This comprehensive guide unveils the intricate world of molecules, delving into their shapes, interactions, properties, and reactions. Discover the fundamental principles that govern the behavior of matter at the molecular level. Unravel the secrets of molecular bonding, exploring the forces that hold atoms together and dictate their behavior. Delve into the fascinating world of molecular reactions, witnessing the dynamic transformations that shape our world. Uncover the underlying principles that govern the behavior of molecules in solutions, exploring the delicate balance of intermolecular forces and the properties that emerge from these interactions. Delve into the realm of acids and bases, unraveling the concepts of proton transfer and exploring their profound implications in chemical reactions. Discover the fascinating field of chemical thermodynamics, where energy flow and equilibrium dictate the course of chemical transformations. Embark on an adventure through the world of chemical kinetics, unravelling the mysteries of reaction rates and mechanisms. Witness the elegance of catalysis, where substances accelerate reactions, orchestrating molecular transformations with remarkable efficiency. Finally, immerse yourself in the realm of biochemistry, where the intricate interplay of molecules gives rise to the wonders of life itself. With clarity and precision, this book serves as your gateway to unlocking the secrets of molecular structure, unveiling the hidden forces that shape the world around us. Explore the profound impact of molecular interactions on our lives and the universe we inhabit, embarking on a journey through the pages of this comprehensive guide to discover the elegance and complexity of the molecular world. If you like this book, write a review!