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Exploration on Quantum Chemical Potential Energy Surfaces: Towards the Discovery of New Chemistry, Hiroko Satoh, Koichi Ohno


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Цена: 31469.00р.
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Автор: Hiroko Satoh, Koichi Ohno
Название:  Exploration on Quantum Chemical Potential Energy Surfaces: Towards the Discovery of New Chemistry
ISBN: 9781839164903
Издательство: Royal Society of Chemistry
Классификация:

ISBN-10: 1839164905
Обложка/Формат: Hardback
Страницы: 272
Вес: 0.56 кг.
Дата издания: 12.12.2022
Серия: Chemistry
Язык: English
Размер: 162 x 242 x 29
Ключевые слова: Computer modelling & simulation,Physical chemistry,Quantum & theoretical chemistry, SCIENCE / Chemistry / Physical & Theoretical
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Поставляется из: Англии
Описание:

Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. Yet the chemical properties of different isomers can vary hugely. Therefore, to understand the world of chemistry we need to ask what kind of isomers can be produced from a given atomic composition, how are isomers converted into each other, how do they decompose into smaller pieces, and how can they be made from smaller pieces? The answers to these questions will help us to discover new chemistry and new molecules. A potential energy surface (PES) describes a system, such as a molecule, based on geometrical parameters. The mathematical properties of the PES can be used to calculate probable isomer structures as well as how they are formed and how they might behave.

Exploration on Quantum Chemical Potential Energy Surfaces focuses on the PES search based on quantum chemical calculations. It describes how to explore the chemical world on PES, discusses fundamental methods and specific techniques developed for efficient exploration on PES, and demonstrates several examples of the PES search for chemical structures and reaction routes.




Visualizing Chemistry: Chemical Potential Energy and Chemical Systems

Автор: Jerry Suits
Название: Visualizing Chemistry: Chemical Potential Energy and Chemical Systems
ISBN: 1524929859 ISBN-13(EAN): 9781524929855
Издательство: Mare Nostrum (Eurospan)
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Цена: 8732.00 р.
Наличие на складе: Нет в наличии.

Описание: Denim may fade, but its popularity never does. Moleskine`s Limited Edition Denim notebooks celebrate a timeless fabric whose story is a patchwork of exploration, adventure, creativity and self-expression. The collection features denim-inspired quotes on four distinct covers, each made using a different denim to represent four countries that have played a key role in the fabric`s history. Each notebook is size large (21 x 13 cm) with a hard cover, rounded corners, ruled pages, ribbon bookmark, elastic closure and an expandable inner pocket. They also feature themed endpapers.

A Handbook for DNA-Encoded Chemistry - Theory and Applications for Exploring Chemical Space and Drug Discovery

Автор: Goodnow
Название: A Handbook for DNA-Encoded Chemistry - Theory and Applications for Exploring Chemical Space and Drug Discovery
ISBN: 1118487680 ISBN-13(EAN): 9781118487686
Издательство: Wiley
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Цена: 17099.00 р.
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Описание: This book comprehensively describes the development and practice of DNA-encoded library synthesis technology.

New Frontiers in Chemical Biology: Enabling Drug Discovery

Автор: Bunnage Mark
Название: New Frontiers in Chemical Biology: Enabling Drug Discovery
ISBN: 184973125X ISBN-13(EAN): 9781849731256
Издательство: Royal Society of Chemistry
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Цена: 28087.00 р.
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Описание: This book highlights the new frontiers in chemical biology and describes their impact and future potential in drug discovery.

Diversity-Oriented Synthesis: Basics and Applications in Organic Synthesis, Drug Discovery, and Chemical Biology

Автор: Trabocchi
Название: Diversity-Oriented Synthesis: Basics and Applications in Organic Synthesis, Drug Discovery, and Chemical Biology
ISBN: 1118145658 ISBN-13(EAN): 9781118145654
Издательство: Wiley
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Цена: 22168.00 р.
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Описание: This book reviews diversity-oriented synthesis (DOS), a leading and dynamic area in organic chemistry and drug discovery. It first covers key chemical methods for the generation of small molecules according to DOS principles as well as important classes of molecules generated through DOS approaches.

Research methodology in physics and chemistry of surfaces and interfaces

Название: Research methodology in physics and chemistry of surfaces and interfaces
ISBN: 1771880112 ISBN-13(EAN): 9781771880114
Издательство: Taylor&Francis
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Цена: 19140.00 р.
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Описание: This book covers a selection of recent research studies and new developments in physics and chemistry in micro and nanoscale materials. It brings together research contributions from eminent experts in the field from both academic and industry, providing the latest developments in advanced materials chemical domains.

Chemical Modelling: Volume 17

Автор: Hilke Bahmann, Jean Christophe Tremblay
Название: Chemical Modelling: Volume 17
ISBN: 1839167416 ISBN-13(EAN): 9781839167416
Издательство: Royal Society of Chemistry
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Цена: 66517.00 р.
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Описание: Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, considerations towards rigorous foundations for the natural-orbital representation of molecular electronic transitions, quantum and classical embedding schemes for optical properties, machine learning for excited states, ultrafast and wave function-based electron dynamics, and attosecond chemistry.

Data science in chemistry :

Автор: Gressling, Thorsten,
Название: Data science in chemistry :
ISBN: 3110629399 ISBN-13(EAN): 9783110629392
Издательство: Walter de Gruyter
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Цена: 13008.00 р.
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Описание:

The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.

Chemical Physics And Quantum Chemistry,81

Автор: Brandas, Erkki J.
Название: Chemical Physics And Quantum Chemistry,81
ISBN: 0128197579 ISBN-13(EAN): 9780128197578
Издательство: Elsevier Science
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Цена: 30318.00 р.
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Описание: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes.


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