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Author : William Graham Richards
Publisher :
ISBN 13 :
Total Pages : 516 pages
Book Rating : 4.:/5 (37 download)
Download or read book A Bibliography of Ab Initio Molecular Wave Functions written by William Graham Richards and published by . This book was released on 1981 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 568 pages
Book Rating : 4.3/5 (91 download)
Download or read book A Bibliography of Ab Initio Molecular Wave Functions written by and published by . This book was released on 1978 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Dominik Marx
Publisher : Cambridge University Press
ISBN 13 : 1139477196
Total Pages : 503 pages
Book Rating : 4.1/5 (394 download)
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Author : Erich Weigold
Publisher : American Institute of Physics
ISBN 13 :
Total Pages : 368 pages
Book Rating : 4.:/5 (41 download)
Download or read book Momentum Wave Functions 1982 written by Erich Weigold and published by American Institute of Physics. This book was released on 1982 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Walter Hack
Publisher : Springer Science & Business Media
ISBN 13 : 3662063336
Total Pages : 292 pages
Book Rating : 4.6/5 (62 download)
Download or read book N Nitrogen written by Walter Hack and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Nitrogen" Suppt. Vol. B 1 describes the compounds of nitrogen with noble gases and, in the major part, binary compounds composed of one nitrogen atom and hydrogen. Nitrogen hydrogen compounds with two and more nitrogen atoms are covered in "Nitrogen" Suppt. Vol. 82. There is some information on various nitrogen-noble gas species, to a large extent because of the interest in their bonding behavior. Experimental data have been obtained chiefly for some singly charged cations, particularly those formed by argon Like ArN + and ArNi. The existence of others has only been established by mass spectrometry. The binary compounds of nitrogen and hydrogen comprise NH, NH , NH , NH , the corre 2 4 5 sponding ions, and some adducts. NH and NH1 are not treated. The predominant part 3 of the volume covers the description of the molecules NH and NH . 8oth species are present 2 in photolytic processes in the atmosphere. They play an essential role in combustion systems regardless of whether the nitrogen stems from the nitrogen-containing fuel or from the air. Thus, much work has been devoted to the understanding of the nitrogen chemistry in combustion and in the atmosphere. The production and detection methods as weiL as the reactions have been comprehensively described. ln addition detailed information is given on the spectral behavior, the knowledge of which is important for detecting the mole cules and for studying their kinetics.
Author : Walter F. Huebner
Publisher : Springer Science & Business Media
ISBN 13 : 1461487978
Total Pages : 582 pages
Book Rating : 4.4/5 (614 download)
Download or read book Opacity written by Walter F. Huebner and published by Springer Science & Business Media. This book was released on 2014-01-02 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers all aspects of opacity and equations of state for gases, plasmas, and dust. The discussion emphasizes the continuous transformation of the equilibrium compositions of these phases as a function of temperature and density.
Author : David Young
Publisher : John Wiley & Sons
ISBN 13 : 0471458430
Total Pages : 408 pages
Book Rating : 4.4/5 (714 download)
Download or read book Computational Chemistry written by David Young and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques. Describes how the choice of methods of software affectsrequirements for computer memory and processing time.
Author : R N Dixon
Publisher : Royal Society of Chemistry
ISBN 13 : 1847557139
Total Pages : 224 pages
Book Rating : 4.8/5 (475 download)
Download or read book Theoretical Chemistry written by R N Dixon and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 224 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 90 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 :
Publisher : Springer Science & Business Media
ISBN 13 : 3662103176
Total Pages : 333 pages
Book Rating : 4.6/5 (621 download)
Download or read book Be Beryllium written by and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 333 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Richard Newland Dixon
Publisher : Royal Society of Chemistry
ISBN 13 : 085186774X
Total Pages : 150 pages
Book Rating : 4.8/5 (518 download)
Download or read book Theoretical Chemistry Volume 3 written by Richard Newland Dixon and published by Royal Society of Chemistry. This book was released on 1974 with total page 150 pages. Available in PDF, EPUB and Kindle. Book excerpt: This product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity.
Author : Dominik Marx
Publisher : Cambridge University Press
ISBN 13 :
Total Pages : 578 pages
Book Rating : 4./5 ( download)
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2010-01-29 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on a breakthrough combination methodology, this handbook and ready reference is the first book to collect and present all facets of the important Car-Parrinello approach. Clearly divided into three sections, the text covers basic and advanced techniques, before finishing with applications. A must-have for all computational researchers and producers of pharmaceuticals and other complex molecules.
Author :
Publisher : Royal Society of Chemistry
ISBN 13 : 0851865364
Total Pages : 290 pages
Book Rating : 4.8/5 (518 download)
Download or read book Molecular Spectroscopy Volume 4 written by and published by Royal Society of Chemistry. This book was released on 1973 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : William Graham Richards
Publisher : Oxford University Press, USA
ISBN 13 : 9780198553670
Total Pages : 463 pages
Book Rating : 4.5/5 (536 download)
Download or read book A Bibliography of Ab Initio Molecular Wave Functions written by William Graham Richards and published by Oxford University Press, USA. This book was released on 1981 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Cecilia Genereux
Publisher : Bloomsbury Publishing USA
ISBN 13 : 0313391254
Total Pages : 212 pages
Book Rating : 4.3/5 (133 download)
Download or read book Notes for Serials Cataloging written by Cecilia Genereux and published by Bloomsbury Publishing USA. This book was released on 2009-07-23 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last decade has brought a great deal of change to serials and to scholarly communication as a whole. Serials have gone online or online only with a rapidness few expected; and many libraries now spend half or more of their materials budgets on electronic journals. Arranged in MARC tag order and by topical subdivision, the latest edition of Notes for Serials Cataloging is designed to help both novice and experienced serials catalogers describe the complex characteristics and relationships of serial publications and construct clear and concise notes. In addition to updated definitions, scope notes, and examples of notes presented in previous editions, it incorporates notes used in electronic serials cataloging as well as covers changing practices in MARC note field usage in keeping with CONSER standards.
Author : Theodore Simos
Publisher : CRC Press
ISBN 13 : 1482288079
Total Pages : 1107 pages
Book Rating : 4.4/5 (822 download)
Download or read book Advances in Computational Methods in Sciences and Engineering 2005 (2 vols) written by Theodore Simos and published by CRC Press. This book was released on 2022-05-04 with total page 1107 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together selected contributed papers presented at the International Conference of Computational Methods in Science and Engineering (ICCMSE 2005), held in Greece, 21 aEURO" 26 October 2005. The conference aims to bring together computational scientists from several disciplines in order to share methods and ideas. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a conference on computational science and its applications to science and engineering. Topics of general interest are: Computational Mathematics, Theoretical Physics and Theoretical Chemistry. Computational Engineering and Mechanics, Computational Biology and Medicine, Computational Geosciences and Meteorology, Computational Economics and Finance, Scientific Computation. High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Numerical Algorithms, Modelling and Simulation of Complex System, Web-based Simulation and Computing, Grid-based Simulation and Computing, Fuzzy Logic, Hybrid Computational Methods, Data Mining, Information Retrieval and Virtual Reality, Reliable Computing, Image Processing, Computational Science and Education etc. More than 800 extended abstracts have been submitted for consideration for presentation in ICCMSE 2005. From these 500 have been selected after international peer review by at least two independent reviewers.
Author : Norman L. Allinger
Publisher : John Wiley & Sons
ISBN 13 : 0470147385
Total Pages : 412 pages
Book Rating : 4.4/5 (71 download)
Download or read book Topics in Stereochemistry written by Norman L. Allinger and published by John Wiley & Sons. This book was released on 2009-09-17 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: This seminal series, first edited by Ernest Eliel, responsible for some of the major advances in stereochemistry and the winner of the ACS Priestley Medal in 1996, provides coverage of the major developments of the field of stereochemistry. The scope of this series is broadly defined to encompass all fields of chemical and biological sciences that are founded on molecular and supramolecular interactions. Insofar as chemical, physical, and biological properties are determined by molecular shape and structure, the importance of stereochemistry is fundamental to and consequential for all natural sciences. Topics in Stereochemistry serves as a multidisciplinary series that enriches all of chemistry. Aimed at advanced students, university professors and teachers as well as researchers in pharmaceutical, agricultural, biotechnological, polymer, materials, and fine chemical industries, Topics in Stereochemistry publishes definitive and scholarly reviews in stereochemistry and has long been recognized as the gold standard reference work in this field. Covering the effect of chirality on all aspects of molecular interaction from the fundamental physical chemical properties of molecules and their molecular physics to the application of chirality in new areas such as its applications in materials science, Topics in Stereochemistry explores a wide variety of properties, both physical and chemical of isomers with a view to their applications in a number of disciplines from biochemistry to materials science.
Author : R F Barrow
Publisher : Royal Society of Chemistry
ISBN 13 : 184755671X
Total Pages : 290 pages
Book Rating : 4.8/5 (475 download)
Download or read book Molecular Spectroscopy written by R F Barrow and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 290 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.
