Описание: Providing practical advice for those requiring more detail on conjugated materials synthesis, this book is useful as an outline for advanced organic and materials science courses as well as a good introduction and desk reference for new and experienced researchers in the field.
Автор: Harvey, Jeremy Название: Computational Chemistry (Paperback) ISBN: 0198755503 ISBN-13(EAN): 9780198755500 Издательство: Oxford Academ Рейтинг: Цена: 5701.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The powerful and versatile applications of computational chemistry are covered succinctly and clearly in this primer, making it an ideal introduction for those new to the field.
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.
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: As one of the typical intermolecular interactions, hydrogen-bonding plays a significant role in molecular structure and function. When the hydrogen bond research system is connected with the photon, the hydrogen-bonding effect turns to an excited-state one influencing photochemistry, photobiology, and photophysics. Thus, the hydrogen bond in an excited state is a key topic for understanding the excited-state properties, especially for optoelectronic or luminescent materials.The approaches presented in this book include quantum chemical calculation, molecular dynamics simulation and ultrafast spectroscopy, which are strong tools to investigate the hydrogen bond. Unlike other existing titles, this book combines theoretical calculations and experiments to explore the nature of excited-state hydrogen bonds. By using these methods, more details and faster processes involved in excited-state dynamics of hydrogen bond are explored.This highly interdisciplinary book provides an overview of leading hydrogen bond research. It is essential reading for faculties and students in researching photochemistry, photobiology and photophysics, as well as novel optoelectronic materials, fluorescence probes and photocatalysts. It will also guide research beginners to getting a quick start within this field.
Описание: This volume covers photoinduced processes for energy harvesting and storage.
Автор: Margaret A. Ryan; Abhijit V. Shevade; Charles J. T Название: Computational Methods for Sensor Material Selection ISBN: 148998416X ISBN-13(EAN): 9781489984166 Издательство: Springer Рейтинг: Цена: 22201.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume provides an in-depth analysis of the components and computational methods required in sensor material selection. Readers will find a discussion of applications that include process control, medical diagnosis and environmental monitoring.
Описание: Although graphical meth- ods have considerable value in the exploration of primary (raw) data they have been overtaken by computational methods, which, for the most part, take primary data and return the refined formation constants.
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: With chapters contributed by leading scientists from 20 research groups worldwide, this volume provides an overview of modern computer-based techniques to compute the structure, properties, and dynamics of biomolecules and biomolecular processes.
Автор: Christopher J. Bender; Lawrence Berliner Название: Computational and Instrumental Methods in EPR ISBN: 1441941126 ISBN-13(EAN): 9781441941121 Издательство: Springer Рейтинг: Цена: 19589.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Computational and Instrumental Methods in EPR is devoted to both instrumentation and computation aspects of EPR, while addressing applications such as spin relaxation time measurements.
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