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.
Описание: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology.
Автор: M.A.C. Nascimento; Jean Maruani; Erkki J. Br?ndas; Название: Frontiers in Quantum Methods and Applications in Chemistry and Physics ISBN: 3319143964 ISBN-13(EAN): 9783319143965 Издательство: Springer Рейтинг: Цена: 34937.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.
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.
An introduction to the rapidly evolving methodology of electronic excited states
For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry.
An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems.
Readers will learn:
● Essential theoretical techniques to describe the properties and dynamics of chemical systems
● Electronic Structure methods for stationary calculations
● Methods for electronic excited states from both a quantum chemical and time-dependent point of view
● A breakdown of the most recent developments in the past 30 years
For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Описание: Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology. This edition includes chapters that are updated to facilitate enhanced understanding of the concept and applications.
Название: Edible Oil Structuring: Concepts, Methods and Applications ISBN: 1782628290 ISBN-13(EAN): 9781782628293 Издательство: Royal Society of Chemistry Рейтинг: Цена: 31469.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Driven both by real industrial needs and curiosity for fundamental research, edible oil structuring has emerged as a subject of growing interest to students, academics and scientists involved in the research of this field.
Автор: Alia Tadjer and Rossen Pavlov Название: Quantum systems in physics, chemistry, and biology. ISBN: 3319502549 ISBN-13(EAN): 9783319502540 Издательство: Springer Рейтинг: Цена: 30745.00 р. Наличие на складе: Поставка под заказ.
Описание: This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology.
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: 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: Proceedings of the NATO Advanced Research Workshop, Aghia Pelaghia, Crete, Greece, June 10-16, 1990
Автор: Maria Emilova Velinova Название: Ab Initio Calculations: Methods and Applications ISBN: 1773610872 ISBN-13(EAN): 9781773610870 Издательство: Mare Nostrum (Eurospan) Рейтинг: Цена: 23285.00 р. Наличие на складе: Поставка под заказ.
Описание: Provides an overview of the most used ab initio quantum methods and their applications in different fields. Ab initio calculations offer results and details that are not obtainable from experimental data and a degree of assurance which is not accessible with the empirical methods. The methods Hartree-Fock, Moller-Plesset Perturbation theory and Coupled Cluster theory are discussed.
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