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Author : Lev Vasilʹevich Vilkov,Vladimir Saidovich Mastri︠u︡kov,Nina Ivanovna Sadova
Publisher : Unknown
Page : 288 pages
File Size : 48,9 Mb
Release : 1983
Category : Free molecules
ISBN : UCAL:B4476764
Author : Jean Demaison,Natalja Vogt
Publisher : Springer Nature
Page : 291 pages
File Size : 41,6 Mb
Release : 2020-12-02
Category : Science
ISBN : 9783030604929
This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure – it is a prerequisite for determining and understanding most other important properties of molecules. The determination of accurate structures is hampered by a myriad of factors, subjecting the collected data to non-negligible systematic errors. This book explains the origin of these errors and how to mitigate and even avoid them altogether. It features a detailed comparison of the different experimental and computation methods, explaining their interplay and the advantages of their combined use. Armed with this information, the reader will be able to choose the appropriate methods to determine – to a great degree of accuracy – the relevant molecular structure.
Author : Natalja Vogt,Jean Demaison
Publisher : Springer
Page : 0 pages
File Size : 52,8 Mb
Release : 2023-09-06
Category : Science
ISBN : 3031360443
This book examines around 400 of the most striking examples of structural studies of free molecules—selected and analyzed by virtue of the unique molecular complexity and novelty of the experimental techniques used. The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, the determination of which is of fundamental interest. Featuring high-quality structural data determined using modern techniques in electron diffraction and high-resolution spectroscopy, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other relevant fields.
Author : Anonim
Publisher : Elsevier
Page : 254 pages
File Size : 42,5 Mb
Release : 1996-03-20
Category : Science
ISBN : 008056075X
Advances in Molecular Structure Research
Author : Miquel Solà,Alexander I. Boldyrev,Michal K. Cyrañski,Tadeusz M. Krygowski,Gabriel Merino
Publisher : John Wiley & Sons
Page : 324 pages
File Size : 47,7 Mb
Release : 2022-12-19
Category : Science
ISBN : 9781119085898
A comprehensive review of the science of aromaticity, as well as its evolution, from benzene to atomic clusters In Aromaticity and Antiaromaticity: Concepts and Applications, a team of accomplished chemists delivers a comprehensive exploration of the evolution and critical aspects of aromaticity. The book examines the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. Additional discussions of inorganic aromatic compounds developed in this century, which give rise to new concepts like multifold aromaticity, are included. Three-dimensional aromaticity found in fullerenes and nanotubes, Möbius aromaticity present in some annulenes, and excited state aromaticity are explored as well. This volume explores the geometrical, electronic, magnetic, and thermodynamic characteristics of aromatic and antiaromatic compounds and their reactivity properties. It also provides: A thorough historical overview of aromaticity, as well as simple electronic and structural models Comprehensive explorations of organic and inorganic aromatic compounds, concepts of stability and reactivity, and geometric, energetic, magnetic, and electronic criteria of descriptors of aromaticity Practical discussions of heteroaromaticity, as well as Möbius aromaticity and excited state aromaticity In-depth examinations of sigma, pi, delta, and phi aromaticity Perfect for graduate students, researchers, and academics interested in aromaticity, organometallic chemistry, and computational chemistry, Aromaticity and Antiaromaticity: Concepts and Applications will also earn a place in the libraries of professionals and researchers working in organic, inorganic, and physical chemistry.
Author : Paul Flowers,Richard Langely,William R. Robinson,Klaus Hellmut Theopold
Publisher : Unknown
Page : 0 pages
File Size : 45,6 Mb
Release : 2019-02-14
Category : Chemistry
ISBN : 194717262X
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 : Istv¿n Hargittai,M. Hargittai
Publisher : John Wiley & Sons
Page : 594 pages
File Size : 55,8 Mb
Release : 1988-10-01
Category : Science
ISBN : 9780471186892
This collection of twenty-six articles by leading experts is the first truly comprehensive account of the gas-phase electron diffraction technique. It is written for the non-specialist users of structural information. Part A discusses the development and present capabilities of gas electron diffraction. Several contributions deal with the combined application of various techniques. Part B contains the structural information and also presents trends and interpretations of structural variations.
Author : G A Sim,L E Sutton
Publisher : Royal Society of Chemistry
Page : 842 pages
File Size : 48,7 Mb
Release : 2007-10-31
Category : Science
ISBN : 9781847556745
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Author : Nicolae Voiculetz,Alexandru T Balaban,Ion Niculescu-Duvaz,Zeno Simon
Publisher : CRC Press
Page : 264 pages
File Size : 47,5 Mb
Release : 1991-02-26
Category : Medical
ISBN : 0849363799
This book presents a comprehensive review of the interaction between cancer research and mathematical methods for both investigators in the field and newcomers just entering it. The book's primary focus is on the use of computer-assisted mathematical modeling in carcinogenesis and cancer prevention. The first two chapters include a general presentation of the carcinogenesis and anticarcinogenesis molecular mechanisms, followed by a discussion of mathematical models of triggers for gene regulation. A description of the prediction of both carcinogenicity and mutagenicity using quantum mechanical, topological or physico-chemical indices is presented, as well as a discussion of the QSAR analysis of carcinogenesis-inhibiting compounds (known as blocking or suppressive agents).
Author : P. J. Wheatley
Publisher : Unknown
Page : 280 pages
File Size : 45,6 Mb
Release : 1959
Category : Chemical models
ISBN : UOM:39015016411541
Author : Peter Jaffrey Wheatley
Publisher : Unknown
Page : 263 pages
File Size : 51,8 Mb
Release : 1962
Category : Molecules
ISBN : OCLC:271703439
Author : Phyllis S. Glaeser
Publisher : Elsevier
Page : 640 pages
File Size : 47,7 Mb
Release : 2013-10-22
Category : Juvenile Nonfiction
ISBN : 9781483153681
Data for Science and Technology covers the proceedings of the Seventh International CODATA Conference. This text is comprised of 133 chapters with a total of 180 papers from 400 hundred authors, which cover CODATA concerned with environmental and energy questions along with problems of data banking and telecommunications network operations. This book provides valuable assessment of data and points out alternatives, trends, and requirements for the future, such as production and use of data in pure applied sciences; data for the development of human settlements in a dynamic world; informatical analysis of scientific research activities; and data on our evolutionary heritage. Researchers from all scientific fields will find this book a great source reference material, since it presents research from various disciplines.
Author : Ronald J Gillespie,Istvan Hargittai
Publisher : Courier Corporation
Page : 274 pages
File Size : 43,7 Mb
Release : 2013-03-21
Category : Science
ISBN : 9780486310527
Valence Shell Electron Pair Repulsion (VSEPR) theory is a simple technique for predicting the geometry of atomic centers in small molecules and molecular ions. This authoritative reference was written by Istvan Hartiggai and the developer of VSEPR theory, Ronald J. Gillespie. In addition to its value as a text for courses in molecular geometry and chemistry, it constitutes a classic reference for professionals. Starting with coverage of the broader aspects of VSEPR, this volume narrows its focus to a succinct survey of the methods of structural determination. Additional topics include the applications of the VSEPR model and its theoretical basis. Helpful data on molecular geometries, bond lengths, and bond angles appear in tables and other graphics.
Author : A Kitaigorodsky
Publisher : Elsevier
Page : 571 pages
File Size : 53,7 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323145657
Molecular Crystals and Molecules deals with some of the problems of molecular crystallography and certain aspects of molecular structure. This book is composed of eight chapters that specifically cover the significant progress of conformational research. The opening chapter describes the structure of crystals considering the close-packing principle, disorder elements, and binary systems. The next two chapters examine the calculation of crystal lattice energy and dynamics. These topics are followed by discussions on the molecular movement, structural, and thermodynamic aspects of crystals. The final chapters look into the parameters for conformational calculations of molecules, macromolecules, and biopolymers. This book will be of great value to physical chemists and researchers who are interested in crystal and molecular structure.
Author : P. J. Wheatley
Publisher : Unknown
Page : 263 pages
File Size : 55,8 Mb
Release : 1965
Category : Molecular structure
ISBN : OCLC:38896027