Автор: Jiri Blazek Название: Computational Fluid Dynamics: Principles and Applications, ISBN: 0080999956 ISBN-13(EAN): 9780080999951 Издательство: Elsevier Science Рейтинг: Цена: 18696.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Computational Fluid Dynamics: Principles and Applications, Third Edition presents students, engineers, and scientists with all they need to gain a solid understanding of the numerical methods and principles underlying modern computation techniques in fluid dynamics. By providing complete coverage of the essential knowledge required in order to write codes or understand commercial codes, the book gives the reader an overview of fundamentals and solution strategies in the early chapters before moving on to cover the details of different solution techniques.
This updated edition includes new worked programming examples, expanded coverage and recent literature regarding incompressible flows, the Discontinuous Galerkin Method, the Lattice Boltzmann Method, higher-order spatial schemes, implicit Runge-Kutta methods and parallelization.
An accompanying companion website contains the sources of 1-D and 2-D Euler and Navier-Stokes flow solvers (structured and unstructured) and grid generators, along with tools for Von Neumann stability analysis of 1-D model equations and examples of various parallelization techniques.
Will provide you with the knowledge required to develop and understand modern flow simulation codes
Features new worked programming examples and expanded coverage of incompressible flows, implicit Runge-Kutta methods and code parallelization, among other topics
Includes accompanying companion website that contains the sources of 1-D and 2-D flow solvers as well as grid generators and examples of parallelization techniques
Автор: Joachim Bargon Название: Computational Methods in Chemistry ISBN: 1468437305 ISBN-13(EAN): 9781468437300 Издательство: Springer Рейтинг: Цена: 6986.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: 70, 4044 (1979)] succeeded in finding the predicted near infrared absorption of the cis triplet acetylene (no corresponding absorp- tion for the trans form was found, which is in agreement with theory), and the resolved structure of the spectrum confirmed the predicted geometries conclusively.
Описание: Exploring the methodologies and applications ofcomputational tools in drug design, this book is a practical introduction to chemoinformatics, molecular modelling and computational chemistry for researchers.
Название: Methods and applications of crystal structure prediction ISBN: 1788011708 ISBN-13(EAN): 9781788011709 Издательство: Royal Society of Chemistry Рейтинг: Цена: 35904.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume gathers key researchers representing the full scientific scope of the crystal structure prediction.
Автор: Bucknum Michael J., Castro Eduardo A. Название: Computational and Experimental Chemistry: Developments and Applications ISBN: 1926895290 ISBN-13(EAN): 9781926895291 Издательство: Taylor&Francis Рейтинг: Цена: 19140.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
This book covers a range of new research on computational quantum chemistry, along with a special section devoted to exotic carbon allotropes and spiro quantum theory. The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. The second part of the book covers a range of new research on computational quantum chemistry.
Описание: Hydrogen exchange mass spectrometry is widely recognized for its ability to probe the structure and dynamics of proteins. The application of this technique is becoming widespread due to its versatility for providing structural information about challenging biological macromolecules such as antibodies, flexible proteins and glycoproteins.
Описание: Electrospray Mass Spectrometry: Fundamentals, Instrumentation, and Applications, Second Edition is an extensively updated version of the original guide.
Автор: Stephen Wilson Название: Methods in Computational Chemistry ISBN: 1461280443 ISBN-13(EAN): 9781461280446 Издательство: Springer Рейтинг: Цена: 12157.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Thisvolume isdevotedtomethodsfor thestudyoftheeffectsofrelativity on theelectronicstructure ofatomsand molecules. The accurate descrip- tionofrelativisticeffectsinheavyatomshaslongbeenrecognizedasoneof the central problems ofatomic physics. Contemporary relativistic atomic structure calculations can be performed almost routinely. Recent years have seen agrowinginterestin thestudyoftheeffects ofrelativityon the structureofmolecules. Even for molecularsystemscontainingatoms from thesecondrowoftheperiodictable theenergyassociatedwith relativistic effects is often larger than that arising from electron correlation. For moleculescontainingheavieratoms relativistic effects become increasingly important, andforsystemscontainingveryheavyatomsrelativityisknown todominatemanychemicalproperties. In this volum, one of the pioneers of relativistic atomic structure calculations, Ian P. Grant, providesadetailedsurveyofthecomputational techniquesemployedincontemporarystudiesoftheeffectsofrelativityon atomicstructure. Thisisanareaofresearchinwhichcalculationscanoften lead to a particularly impressive degreeofagreement between theoryand experiment. Furthermore, theseatomicstudies haveprovided manyofthe foundations of a fully relativistic quantum chemistry. However, the spherical symmetry ofatoms allows significantsimplificationsto bemade in their quantum mechanical treatment, simplifications which are not possibleinstudiesofmolecules. Inparticular, as is wellknown from non- relativistictheoriesofmolecularelectronicstructure, itisalmostobligatory to invoke the algebraic approximation in molecular work and use finite basis set expansions. The problem of describing relativistic effects in molecules is addressed in Chapter2 by Stephen Wilson. This chapter is devotedtoab initiorelativisticmolecularstructurecalculationsinwhichall electrons are explicitly considered. The problem of induding relativistic effects in molecular studies is also addressed in Chapters3 and 4. In Chapter 3, Odd Gropen describes the use of relativistic effective core ix x Preface potentials in calculations on molecular systems involving heavy atoms. This approach can lead to more tractable algorithms than the methods described in Chapter2 and thus significantly extends the range of applications. The use of semiempirical methods has yielded a wealth of informationabouttheinfluenceofrelativityonthechemistryoftheheavier elements. Thisimportantarea is reviewed inChapter4 by Pekka Pyykk6. Finally, inChapter5, Harry M.
Автор: Atkins, Peter (Fellow of Lincoln College, University of Oxford) De Paula, Julio (Professor of Chemistry and Dean of College of Arts & Sciences, Lewis Название: Physical Chemistry for the Life Sciences, 2010 ISBN: 0199564280 ISBN-13(EAN): 9780199564286 Издательство: Oxford Academ Рейтинг: Цена: 23442.00 р. Наличие на складе: Поставка под заказ.
Описание: Provides a rich collection of analytical essays penned by those who have been closely associated with Pradeep worldwide. The broad message that comes from the contributions is the importance of open global trading systems, competitive and contestable markets domestically, coordination and regulation of national and global action on this, effective partnerships and representative global governance.
Описание: This edited, multi-author volume contains selected, peer-reviewed contributions based on the presentations given at the 21th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), held in Vancouver, Canada, in July 2016.
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