Описание: This book is not intended to be a basic text in infrared spectroscopy. Kauffman, "Infrared Spectroscopy of Fats and Oils," J. Tipson, Infrared Spectroscopy of Carbohydrates, National Bureau of Standards Monograph llO, Washington, D.C., 1968. Rao, Chemical Applications of Infrared Spectroscopy, Academic Press, New York, 1963.
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: This book offers a comprehensive review of progress in vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. Surveys recent advances, potential exploitations of the theory and new applications.
Описание: Proceedings of the NATO Advanced Study Institute on `Molecular Spectroscopy: Recent Experimental and Computational Advances`, Ponta Delgada, Sao Miguel, (Acores), Portugal, August 30-September 11, 1992
Описание: Covers a wide range of topics (such as molecular dynamics and reactivity; conformational analysis; hydrogen bonding and solvent effects; spectroscopy of excited states; and, complex spectra interpretation and simulation) and considers a variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective.
Автор: Joldes Название: Computational Biomechanics for Medicine ISBN: 3319283278 ISBN-13(EAN): 9783319283272 Издательство: Springer Рейтинг: Цена: 26122.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The Computational Biomechanics for Medicine titles provide an opportunity for specialists in computational biomechanics to present their latest methodologies and advancements. This volume comprises eighteen of the newest approaches and applications of computational biomechanics, from researchers in Australia, New Zealand, USA, UK, Switzerland, Scotland, France and Russia. Some of the interesting topics discussed are: tailored computational models; traumatic brain injury; soft-tissue mechanics; medical image analysis; and clinically-relevant simulations.
One of the greatest challenges facing the computational engineering community is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. We hope the research presented within this book series will contribute to overcoming this grand challenge.
Описание: The proposed volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions, the different properties of drugs (including the calculation and the design of new ones), and the creation of completely new ways of treating numerical diseases. Whenever it is possible, the interplay between theory and experiment is provided. The book features computational techniques such as quantum-chemical and molecular dynamic approaches and quantitative structure–activity relationships. The initial chapters describe the state-of-the art research on the computational investigations in molecular biology, molecular pharmacy, and molecular medicine performed with the use of pure quantum-chemical techniques. The central part of the book illustrates the status of computational techniques that utilize hybrid, so called QM/MM approximations as well as the results of the QSAR studies which now are the most popular in predicting drugs’ efficiency. The last chapters describe combined computational and experimental investigations.
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: During the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local- ized states in solids.
Автор: H.G. Knuttgen; E. Achten; Michel Osteaux; Kenny de Название: Magnetic Resonance Imaging and Spectroscopy in Sports Medicine ISBN: 3642756883 ISBN-13(EAN): 9783642756887 Издательство: Springer Рейтинг: Цена: 15372.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Throughout the twentieth century, interest in sport has evidenced a major increase worldwide and a new field of sports medicine has emerged.
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