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Author: Norman L. Allinger Publisher: John Wiley & Sons ISBN: 1118043529 Category : Science Languages : en Pages : 356
Book Description
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.
Author: Norman L. Allinger Publisher: John Wiley & Sons ISBN: 1118043529 Category : Science Languages : en Pages : 356
Book Description
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.
Author: John S. Hutchinson Publisher: Orange Grove Texts Plus ISBN: 9781616100216 Category : Chemistry Languages : en Pages : 0
Book Description
This is an on-line textbook for an Introductory General Chemistry course. Each module develops a central concept in Chemistry from experimental observations and inductive reasoning. This approach complements an interactive or active learning teaching approach. Additional multimedia resources can be found at: http: //cnx.org/content/col10264/1.5
Author: Xiao-Feng Pang Publisher: World Scientific ISBN: 9814440434 Category : Nature Languages : en Pages : 491
Book Description
This book provides a broad and complete introductions to the molecular structure, novel and anomalous properties, nonlinear excitations, soliton motions, magnetization, and biological effects of water. These subjects are described by both experimental results and theoretical analyses. These contents are very interesting and helpful to elucidate and explain the problem of what is on earth water. This book contains the research results of the author and plenty of scientists in recent decades. Water: Molecular Structure and Properties is self-contained and unified in presentation. It may be used as an advanced textbook by graduate students and even ambitious undergraduates in Physics and Biology. It is also suitable for the researchers and engineers in Physics, Biology and water science.
Author: Joseph J W McDouall Publisher: Royal Society of Chemistry ISBN: 1782625860 Category : Science Languages : en Pages : 252
Book Description
Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
Author: Paul Flowers Publisher: ISBN: 9781947172623 Category : Chemistry Languages : en Pages : 0
Book Description
Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.
Author: National Research Council Publisher: National Academies Press ISBN: 0309168392 Category : Science Languages : en Pages : 238
Book Description
Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Author: Alison Rodger Publisher: Butterworth-Heinemann ISBN: 1483106039 Category : Science Languages : en Pages : 203
Book Description
Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and transition metal clusters. The last chapter tackles the consequences of small, local variations in geometry. The text will be of great use to chemists who primarily deal with the properties of molecules and atoms.
Author: Douglas Henderson Publisher: Elsevier ISBN: 0323142206 Category : Science Languages : en Pages : 855
Book Description
Physical Chemistry: An Advanced Treatise, Volume IV: Molecular Properties provides the aspects of the properties of single molecules and physical methods available for their determination. This book discusses linear polyatomic molecules, quantum-mechanical theory of vibrations, spectra of organic molecules, production and detection of free radicals, and force constants and molecular structure. The Hund's coupling cases for diatomic molecules, methods of measuring dipole moments, NMR spectra, and ESR spectra of organic species are also elaborated. This publication likewise covers the applications of the Mössbauer effect, electric deflection experiments, and effects of intramolecular motions on diffraction patterns. This volume is intended for graduate and physical chemistry students interested in molecular properties.
Author: Sergei V. Khristenko Publisher: Springer Science & Business Media ISBN: 3642719465 Category : Science Languages : en Pages : 223
Book Description
Molecules and Their Spectroscopic Properties presents a comprehensive collection of geometrical and spectroscopic constants and collisional characteristics for molecules most important in applications, with data on: energy levels, fundamental vibrational frequencies, electron and proton affinities, dipole moments and polarizabilities, ionization potentials and effective cross sections for various elementary processes occurring in laboratory and astrophysical plasmas, chemical processes, and molecular lasers. Besides the tabulated and graphical material, the most important physical notations and fundamental relationships are included, too. The up-to-date reference data presented will be useful for specialists working in molecular spectroscopy, physics of molecular collisions, and laser physics.
Author: Norman L. Allinger
Author: Norman L. Allinger
Author: John S. Hutchinson
Author: Xiao-Feng Pang
Author: Joseph J W McDouall
Author: Paul Flowers
Author: National Research Council
Author: Alison Rodger
Author: Douglas Henderson
Author: 
Author: Sergei V. Khristenko