Sussex Npl Computer Analysed Thermochemical Data

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Thermochemical Data of Organic Compounds

Author : J. B. Pedley
Publisher : Springer Science & Business Media
ISBN 13 : 9400940998
Total Pages : 790 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis Thermochemical Data of Organic Compounds by : J. B. Pedley

Download or read book Thermochemical Data of Organic Compounds written by J. B. Pedley and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of the material in this book is to enable users of thermochemical data to predict values for standard enthalpies ofreactions involving organic compounds ranging in complex ity from simple alkanes to biologically important compounds such as amino acids. Chapter 1 contains tables of values for standard enthalpies of formation derived from experimental data for approximately 3000 organic compounds of the elements C, H, 0, N, S and halogens; Chapters 2 to 4 describe a simple scheme for predicting unknown values of standard enthalpies of formation. Data presented in the book are stored in a data base at the University of Sussex and with associated software provides a simple but efficient method for dealing with thermochemical problems in organic chemistry. The experimental data used in the computer calculation of the values for standard enthal pies of formation are clearly indicated in Table 1.2. Where alternative values for a given standard enthalpy of formation may be derived, from independent measurements, we have clearly indicated those which are regarded by the assessors as definitive and which are therefore used to derive the value for the compound concerned. We do not, however, give reasons for the assessors choice nor are details given of experimental techniques. The literature search for suitable references was discontinued in 1983 to allow development of the predictive scheme and the computer techniques for handling the data.

Molecular Energetics

Author : José A. Martinho Simões
Publisher : Oxford University Press
ISBN 13 : 0190285273
Total Pages : 304 pages
Book Rating : 4.1/5 (92 download)

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Book Synopsis Molecular Energetics by : José A. Martinho Simões

Download or read book Molecular Energetics written by José A. Martinho Simões and published by Oxford University Press. This book was released on 2008-07-14 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a broad discussion of the concepts required to understand the thermodynamic stability of molecules and bonds and a description of the most important condensed-phase techniques that have been used to obtain that information. Above all, this book attempts to provide useful guidelines on how to choose the "best" data and how to use it to understand chemistry. Although the book assumes some basic knowledge on physical-chemistry, it has been written in a "textbook" style and most topics are addressed in a way that is accessible to advanced undergraduate students. Many examples are given throughout the text, involving a variety of molecules. This text will provide a good starting point for those who wish to initiate in the field or simply to understand how to assess, to estimate, and to use thermochemical data. It will therefore appeal to a broad range of practicing chemists and particularly to those interested in energetics-structure-reactivity relationships.

NBS Technical Note

Author :
Publisher :
ISBN 13 :
Total Pages : 654 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis NBS Technical Note by :

Download or read book NBS Technical Note written by and published by . This book was released on 1980 with total page 654 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Molecular Design

Author : A.L. Horvath
Publisher : Elsevier
ISBN 13 : 0444596739
Total Pages : 1505 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis Molecular Design by : A.L. Horvath

Download or read book Molecular Design written by A.L. Horvath and published by Elsevier. This book was released on 2012-12-02 with total page 1505 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.

Thermochemistry and Its Applications to Chemical and Biochemical Systems

Author : M.A.V. Ribeiro Da Silva
Publisher : Springer Science & Business Media
ISBN 13 : 9400963122
Total Pages : 840 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis Thermochemistry and Its Applications to Chemical and Biochemical Systems by : M.A.V. Ribeiro Da Silva

Download or read book Thermochemistry and Its Applications to Chemical and Biochemical Systems written by M.A.V. Ribeiro Da Silva and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 840 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Study Institute on Thermochemistry Today and Its Role in the Immediate Future, Viano do Castelo, Portugal, July 5-15, 1982

Lithium Chemistry

Author : Anne-Marie Sapse
Publisher : John Wiley & Sons
ISBN 13 : 9780471549307
Total Pages : 612 pages
Book Rating : 4.5/5 (493 download)

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Book Synopsis Lithium Chemistry by : Anne-Marie Sapse

Download or read book Lithium Chemistry written by Anne-Marie Sapse and published by John Wiley & Sons. This book was released on 1995-06-09 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: An up-to-date, comprehensive guide to LITHIUM CHEMISTRY Although lithium has been the subject of numerous individualstudies, this intriguing element has rarely been examined from thebroad perspective many researchers require. Lithium Chemistry: ATheoretical and Experimental Overview fills this void by providingthe most thorough and up-to-date overview available of currenttheories and experimental data. Supported by nearly two hundred illustrations, this book draws uponthe expertise of prominent researchers in the field, and treats thefull range of modern applications and techniques. The result is aunique and invaluable guide to lithium studies for researchers andgraduate students working in the fields of organic, inorganic, andorgano-metallic chemistry. Lithium Chemistry: A Theoretical and Experimental Overview assumesa background in quantum chemistry and experimental physicalchemistry at the graduate level and includes coverage of thesemajor topics: * Bonding, structures, and energies in organolithium compounds * Theoretical studies of aggregates of lithium compounds * Comparison of lithium and hydrogen bonds * Lithium atom matrix reactions with small molecules * NMR of organolithium compounds * Aspects of the thermochemistry of lithium compounds * The structure of lithiated amines and lithiated ethers--fromcarbanions to carbenoids * Complexes of inorganic lithium salts * Structures of lithium salts of heteroatom compounds * Synthetic ionophores for lithium ions

Thermodynamics of Organic Compounds in the Gas State

Author : Michael Frenkel
Publisher : CRC Press
ISBN 13 : 9781883400040
Total Pages : 1052 pages
Book Rating : 4.4/5 ( download)

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Book Synopsis Thermodynamics of Organic Compounds in the Gas State by : Michael Frenkel

Download or read book Thermodynamics of Organic Compounds in the Gas State written by Michael Frenkel and published by CRC Press. This book was released on 1994-06-15 with total page 1052 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume II of two, from the Thermodymaics Research Centre, this includes Thermodynamic Functions of the Substances in the Ideal Gas State; and Empirical Functions for Thermodynamical Properties of Ideal Gases.

Organosilicon Compounds

Author : Vladimir Ya Lee
Publisher : Academic Press
ISBN 13 : 0128142146
Total Pages : 417 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Organosilicon Compounds by : Vladimir Ya Lee

Download or read book Organosilicon Compounds written by Vladimir Ya Lee and published by Academic Press. This book was released on 2017-09-25 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organosilicon Compounds: Experiment (Physico-Chemical Studies) and Applications, volume 2, also contains two parts. In its first part, Experiment (Physico-Chemical Studies), the application of modern instrumental tools (such as X-ray crystallography, 29Si NMR spectroscopy, UV-Photoelectron Spectroscopy, and other methods) for assessing the structures of organosilicon compounds is described. The second part, Applications, reviews the current research in the field of material science, specifically the use of organosilicon compounds in synthetic chemistry directed towards the creation of new materials. Organosilicon Compounds: From Theory to Synthesis to Applications provides a comprehensive overview of this important area of organic and organometallic chemistry, dealing with compounds containing carbon–silicon bonds. This field, which includes compounds that are widely encountered in commercial products such as in the fabrication of sealants, adhesives, and coatings, has seen many milestone discoveries reported during the last two decades. Beginning with the theoretical aspects of organosilicon compounds' structure and bonding, the book then explores their synthetic aspects, including main group element organosilicon compounds, transition metal complexes, silicon cages and clusters, low-coordinate organosilicon derivatives (cations, radicals, anions, multiple bonds to silicon, silaaromatics), and more. Next, readers will find valuable sections that explore physical and chemical properties of organosilicon compounds by means of X-ray crystallography, 29Si NMR spectroscopy, photoelectron spectroscopy, and other methods. Finally, the work delves into applications for industrial uses and in many related fields, such as polymers, material science, nanotechnology, bioorganics, and medicinal silicon chemistry. - Features valuable contributions from prominent experts cover both fundamental (theoretical, synthetic, physico-chemical) and applied (material science, applications) aspects of modern organosilicon chemistry - Covers important breakthroughs in the field as well as with the historically significant achievements of the past - Includes applied information for a wide range of specialists from junior and senior researchers (from both academia and industry), working in organometallic, organosilicon, main group element, transition metal, and industrial silicon chemistry, as well as those from interdisciplinary fields such as polymer, material science, nanotechnology

Cyclophanes

Author : Philip Keehn
Publisher : Elsevier
ISBN 13 : 0323152562
Total Pages : 391 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Cyclophanes by : Philip Keehn

Download or read book Cyclophanes written by Philip Keehn and published by Elsevier. This book was released on 2012-12-02 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cyclophanes, Volume I is a collection of papers that reviews cyclophane chemistry. One paper describes the genesis of the cyclophane concept, covering its past, present, and future possible applications. The results of experimental and theoretical studies show the interrelationships between the structure and energetics in the class of compounds known as cyclophanes. Another paper relates the X-ray crystal structure determinations of cyclophanes to set the crystallographic and structural data of these systems in such a form that will enable comparisons, lead to an understanding of the geometries and deviations, and open the application of data to other areas of cyclophane chemistry. One paper reviews the methods by which nuclear magnetic resonance is applied to assign stereochemistry in the fixed phanes to show the conformational effects that have been observed in the mobile phanes. Another paper explains the synthesis, chemical, and physical properties of [n]cyclophanes, including systems with benzene, naphthalene, anthracene rings, heteroaromatics pyridine, furan, pyrrole, and thiophene. This collection can greatly profit researchers and academicians in the fields of organic chemistry, physical chemistry, and other scientists whose works revolve around aromatic compounds and cyclophanes.

Mass Spectrometry

Author : R A W Johnstone
Publisher : Royal Society of Chemistry
ISBN 13 : 1847556639
Total Pages : 370 pages
Book Rating : 4.8/5 (475 download)

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Book Synopsis Mass Spectrometry by : R A W Johnstone

Download or read book Mass Spectrometry written by R A W Johnstone and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Metallurgical Coatings and Thin Films 1990

Author : B.D. Sartwell
Publisher : Elsevier
ISBN 13 : 0444601104
Total Pages : 1129 pages
Book Rating : 4.4/5 (446 download)

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Book Synopsis Metallurgical Coatings and Thin Films 1990 by : B.D. Sartwell

Download or read book Metallurgical Coatings and Thin Films 1990 written by B.D. Sartwell and published by Elsevier. This book was released on 2012-12-02 with total page 1129 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metallurgical Coatings and Thin Films 1990 presents the Proceedings of the 17th International Conference on Metallurgical Coatings and 8th International Conference on Thin Films, held in San Diego, California on April 2-6, 1990. It contains 219 papers covering a wide range of topics related to metallurgical coatings and thin films, including high temperature coatings, hard coatings, diamond films, tribology, and ion beam modification. Organized into 99 chapters, this volume begins with a discussion of a thermochemical model for diamond growth from the vapor phase and an experiment in large area diamond coating using a combustion flame torch in its traversing mode. It then explores the properties of diamond films, preparation of diamond-like carbon films using various ion-beam-assisted techniques, deposition of diamond-like films by laser ablation, and coating of cubic BN films on different substrates. The book examines surface processes and rate-determining steps in plasma-induced chemical vapor deposition, and addition of rare earths to improve scale adherence on heat-resisting alloys and coatings. The reader is introduced to high temperature wear and clearance control coatings, thermal barrier coatings, and corrosion resistant coatings. The book also discusses modification of coatings/surfaces to reduce friction; the mechanics of the tribology of thin films systems; mechanochemical interactions in the tribological behavior of materials; analysis and micromechanical testing of tribological coatings; surface modification using directed ion beams; and industrial equipment and processes. This book is a valuable resource for students and researchers interested in metallurgical coatings and thin films.

Summary of On-line Or Interactive Physico-chemical Numerical Data Systems

Author : Joseph Hilsenrath
Publisher :
ISBN 13 :
Total Pages : 36 pages
Book Rating : 4.3/5 (121 download)

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Book Synopsis Summary of On-line Or Interactive Physico-chemical Numerical Data Systems by : Joseph Hilsenrath

Download or read book Summary of On-line Or Interactive Physico-chemical Numerical Data Systems written by Joseph Hilsenrath and published by . This book was released on 1980 with total page 36 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The NBS Tables of Chemical Thermodynamic Properties

Author : Donald D. Wagman
Publisher :
ISBN 13 :
Total Pages : 412 pages
Book Rating : 4.:/5 (319 download)

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Book Synopsis The NBS Tables of Chemical Thermodynamic Properties by : Donald D. Wagman

Download or read book The NBS Tables of Chemical Thermodynamic Properties written by Donald D. Wagman and published by . This book was released on 1982 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemical Thermodynamic Data Banks

Author : David Garvin
Publisher :
ISBN 13 :
Total Pages : 44 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Chemical Thermodynamic Data Banks by : David Garvin

Download or read book Chemical Thermodynamic Data Banks written by David Garvin and published by . This book was released on 1981 with total page 44 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Structure/Reactivity and Thermochemistry of Ions

Author : Pierre Ausloos
Publisher : Springer Science & Business Media
ISBN 13 : 9400937873
Total Pages : 491 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis Structure/Reactivity and Thermochemistry of Ions by : Pierre Ausloos

Download or read book Structure/Reactivity and Thermochemistry of Ions written by Pierre Ausloos and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 491 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents the proceedings of a 1986 Advanced Study Institute entitled "Structure/Reactivity and Thermochemistry of Ions", held at Les Arcs, France, June 30 to July 11, 1986. The format of a NATO Institute is ideally suited to in-depth communications between scien tists of diverse backgrounds. Particularly in the field of ion physics and chemistry, where on-going research involves physicists, physical chemists, and organic chemists - who use a variety of experimental and theoretical techniques - it is found that in the relaxed but stimula ting atmosphere of a NATO ASI, each professional group provides unique insights, leading to a better definition and solution of problems relating to the properties of gas phase ions. This book presents chapters based on the lectures presented at the Les Arcs ASI. The participants took the initiative to organize a number of specialized workshops - informal discussion groups which considered questions or problem areas of particular interest. The accounts of these sessions, which are also included in this book, make stimulating reading, and include considerable useful information. This Advanced Study Institute is the fourth in a series of NATO-spon sored institutes devoted to the chemistry and physics of ions in the gas phase. The first, in 1974, in Biarritz, France, focussed on "Interactions between Ions and Molecules".

CRC Handbook of Applied Thermodynamics

Author : David A. Palmer
Publisher : CRC Press
ISBN 13 : 1351079433
Total Pages : 284 pages
Book Rating : 4.3/5 (51 download)

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Book Synopsis CRC Handbook of Applied Thermodynamics by : David A. Palmer

Download or read book CRC Handbook of Applied Thermodynamics written by David A. Palmer and published by CRC Press. This book was released on 2019-07-23 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical handbook features an overview of the importance of physical properties and thermodynamics; and the use of thermo-dynamics to predict the extent of reaction in proposed new chem-ical combinations. The use of special types of data and pre-diction methods to develop flowsheets for probing projects; and sources of critically evaluated data, dividing the published works into three categories depending on quality are given. Methods of doing one's own critical evaluation of literature, a list of known North American contract experimentalists with the types of data mea-sured by each, methods for measuring equilibrium data, and ther-modynamic concepts to carry out process opti-mization are also featured.

Reviews in Computational Chemistry, Volume 17

Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0471458813
Total Pages : 431 pages
Book Rating : 4.4/5 (714 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY