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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: 209790.00T
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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: 58210.00 T
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.

PEM Electrolysis for Hydrogen Production: Principles and Applications

Автор: Dmitri Bessarabov, Haijiang Wang, Hui Li, Nana Zha
Название: PEM Electrolysis for Hydrogen Production: Principles and Applications
ISBN: 1138775495 ISBN-13(EAN): 9781138775497
Издательство: Taylor&Francis
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Цена: 93910.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:

An ever-increasing dependence on green energy has brought on a renewed interest in polymer electrolyte membrane (PEM) electrolysis as a viable solution for hydrogen production. While alkaline water electrolyzers have been used in the production of hydrogen for many years, there are certain advantages associated with PEM electrolysis and its relevance to renewable energy sources. PEM Electrolysis for Hydrogen Production: Principles and Applications discusses the advantages of PEM electrolyzers over alkaline electrolyzers, presents the recent advances of hydrogen PEM fuel cells accelerating the large-scale commercialization of PEM electrolysis, and considers the challenges that must be addressed before PEM electrolysis can become a commercially feasible option.

Written by international scientists in PEM electrolysis and fuel cell research areas, this book addresses the demand for energy storage technologies that store intermittent renewable energy and offers the most complete and up-to-date information on PEM electrolysis technology and research.


The authors:

  • Cover the fundamental applications of PEM electrolysis
  • Review the state-of-the-art technologies and challenges related to each of the components of the PEM electrolysis
  • Address failure analysis and review available failure diagnostic tools
  • Provide future direction for researchers and technology developers

PEM Electrolysis for Hydrogen Production: Principles and Applications provides a fundamental understanding of the requirements and functionalities of certain components and attributes of the PEM electrolysis technology that are common for both PEM fuel cells' and electrolyzers' hydrogen applications for energy storage. Beneficial to students and professionals, the text serves as a handbook for identifying PEM electrolysis failure modes and diagnosing electrolyzer performance to improve efficiency and durability.


The Discovery and Utility of Chemical Probes in Target Discovery

Автор: Brennan Paul
Название: The Discovery and Utility of Chemical Probes in Target Discovery
ISBN: 1788015894 ISBN-13(EAN): 9781788015899
Издательство: Royal Society of Chemistry
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Цена: 223870.00 T
Наличие на складе: Невозможна поставка.
Описание: Ideal for students and established biochemists, this book will cover new technologies for probe discovery, new probe modalities, the new field of probes for RNA targets and the mature field of kinase chemical probes.

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: 113990.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
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: 187250.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book highlights the new frontiers in chemical biology and describes their impact and future potential in drug discovery.

Protein Degradation with New Chemical Modalities: Successful Strategies in Drug Discovery and Chemical Biology

Название: Protein Degradation with New Chemical Modalities: Successful Strategies in Drug Discovery and Chemical Biology
ISBN: 1788016866 ISBN-13(EAN): 9781788016865
Издательство: Royal Society of Chemistry
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Цена: 252030.00 T
Наличие на складе: Невозможна поставка.
Описание: This book provides a comprehensive overview from the leading academic and industrial experts on recent developments, scope and limitations in this dynamically growing research area; an ideal reference work for researchers in drug discovery and chemical biology as well as advanced students.

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: 147790.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
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.

Samarium: Chemical Properties, Occurrence & Potential Applications

Автор: Kaitlyn R Danford
Название: Samarium: Chemical Properties, Occurrence & Potential Applications
ISBN: 1633210456 ISBN-13(EAN): 9781633210455
Издательство: Nova Science
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Цена: 122490.00 T
Наличие на складе: Невозможна поставка.
Описание: Samarium is a lanthanide that preferentially exists in the +3 oxidation state. Samarium compounds are useful as catalysts which have been employed in a large number of chemical reactions. Catalysts are very important in chemistry and are used in more than 80% of industrial processes. Since chemical processes transform raw materials into products, it is important that these reactions are relatively quick and selective so they can be considered for an industrial scale. This book discusses samarium compounds, and continues to provide information on the Sm-complex/polymer composite; activation procedures of SmI2 and its utilization for organic reactions; a comparison of Sm(III) and Cr(VI) ions; and potential applications of samarium as a dopant element.

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: 127600.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
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 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: 202120.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
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.

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: 443450.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
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: 86720.00 T
Наличие на складе: Есть у поставщика Поставка под заказ.
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.



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