Linear-Scaling Techniques in Computational Chemistry and Physics, Robert Zale?ny; Manthos G. Papadopoulos; Paul G. M
Автор: FR?HLICH Название: Scaling and Self-Similarity in Physics ISBN: 1489967648 ISBN-13(EAN): 9781489967640 Издательство: Springer Рейтинг: Цена: 6986.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: Lewars Название: Computational Chemistry ISBN: 9048138612 ISBN-13(EAN): 9789048138616 Издательство: Springer Рейтинг: Цена: 10480.00 р. Наличие на складе: Нет в наличии.
Описание: This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Автор: Leonid Gorb; Victor Kuz`min; Eugene Muratov Название: Application of Computational Techniques in Pharmacy and Medicine ISBN: 9402406964 ISBN-13(EAN): 9789402406962 Издательство: Springer Рейтинг: Цена: 36570.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
1 Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems.- 2 Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment.- 3 Formation of DNA Lesions, Its Prevention and Repair.- 4 DNA dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design.- 5 Molecular structures, relative stability, and proton affinities of nucleotides: Broad view and novel findings.- 6 Quantum Chemical Approaches in Modeling the Structure of Quadruplex DNA and Its Interaction with Metal Ions and Small Molecules.- 7 Density Functional Theory Calculations of Enzyme-Inhibitor Interactions in Medicinal Chemistry and Drug Design.- 8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides.- 9 Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies.- 10 Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling.- 11 Computational Toxicology in Drug Discovery: opportunities and limitations.- 12 Consensus Drug Design Using it Microcosm.- 13 Continuous Molecular Fields Approach Applied to Structure-Activity Modeling.- 14 Quantitative Structure-Pharmacokinetic Relationships of Drugs within the Framework of Biopharmaceutics Classification System by Using Simplex Representation of Molecular Structure.- 15 (How to) Profit from Molecular Dynamics-based Ensemble Docking.- 16 Cheminformatics on Crossroad of Eras.
Описание: Focusing on the links connecting statistical and continuum mechanics, this book introduces both theories before leading on to actual research themes. Mathematical techniques and methods from probability, calculus of variations and PDE are discussed at length.
Автор: Jonathan Worstell Название: Scaling Chemical Processes ISBN: 012804635X ISBN-13(EAN): 9780128046357 Издательство: Elsevier Science Рейтинг: Цена: 5051.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
"Scaling Chemical Processes: Practical Guides in Chemical Engineering" is one of a series of short texts that each provides a focused introductory view on a single subject. The full library spans the main topics in the chemical process industries for engineering professionals who require a basic grounding in various related topics. They are pocket publications that the professional engineer can easily carry with them or access electronically while working. Each text is highly practical and applied, and presents first principles for engineers who need to get up to speed in a new area fast.
The focused facts provided in each guide will help you converse with experts in the field, attempt your own initial troubleshooting, check calculations, and solve rudimentary problems. This book discusses scaling chemical processes from a laboratory through a pilot plant to a commercial plant. It bases scaling on similarity principles and uses dimensional analysis to derive the dimensionless parameters necessary to ensure a successful chemical process development program. This series is fully endorsed and co-branded by the IChemE, and they help to promote the series. Offers practical, short, concise information on the basics to help you get an answer or teach yourself a new topic quicklyIncludes industry examples to help you solve real world problemsProvides key facts for professionals in convenient single subject volumesDiscusses scaling chemical processes from a laboratory through a pilot plant to a commercial plant"
Автор: Meakin Название: Fractals, Scaling and Growth Far from Equilibrium ISBN: 0521189810 ISBN-13(EAN): 9780521189811 Издательство: Cambridge Academ Рейтинг: Цена: 11246.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This 1998 book describes developments in understanding the formation of complex, disorderly patterns under conditions far from equilibrium. The application of fractal geometry and scaling concepts to the quantitative description and understanding is described. Discussion of self-similar fractals, multi-fractals and scaling methods facilitates applications in the physical sciences.
Описание: This monograph gives a detailed introductory exposition of research results for various models, mostly two-dimensional, of directed walks, interfaces, wetting, surface adsorption (of polymers), stacks, compact clusters (lattice animals), etc.
Автор: Takashi Kumagai Название: Random Walks on Disordered Media and their Scaling Limits ISBN: 3319031511 ISBN-13(EAN): 9783319031514 Издательство: Springer Рейтинг: Цена: 4890.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: In these lecture notes, we will analyze the behavior of random walk on disordered media by means of both probabilistic and analytic methods, and will study the scaling limits.
Автор: Geerd H.F. Diercksen; B.T. Sutcliffe; A. Veillard Название: Computational Techniques in Quantum Chemistry and Molecular Physics ISBN: 9027705887 ISBN-13(EAN): 9789027705884 Издательство: Springer Рейтинг: Цена: 37874.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the NATO Advanced Study Institute, Ramsan, Germany, September 4-21, 1974
Автор: Geerd H.F. Diercksen; B.T. Sutcliffe; A. Veillard Название: Computational Techniques in Quantum Chemistry and Molecular Physics ISBN: 9401018170 ISBN-13(EAN): 9789401018173 Издательство: Springer Рейтинг: Цена: 27251.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the NATO Advanced Study Institute, Ramsan, Germany, September 4-21, 1974
Автор: E. Clementi Название: Modern Techniques in Computational Chemistry: MOTECC™-90 ISBN: 940107495X ISBN-13(EAN): 9789401074957 Издательство: Springer Рейтинг: Цена: 32074.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: E. Clementi Название: Modern Techniques in Computational Chemistry: MOTECC™ -89 ISBN: 9401090599 ISBN-13(EAN): 9789401090599 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: In a way the MOTECC-89 project started in the early sixties at the IBM Research Laboratory in San Jose, California.
ООО "Логосфера " Тел:+7(495) 980-12-10 www.logobook.ru
