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Green Chemistry And Computational Chemistry

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Green Chemistry and Computational Chemistry

Green Chemistry and Computational Chemistry Book
Author : Liliana L. Mammino
Publisher : Elsevier
Release : 2021-11-17
ISBN : 0323851827
Language : En, Es, Fr & De

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Book Description :

Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices. Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice. Highlights the benefits of green and theoretical chemistry groups working together to tackle sustainability issues across both academia and industry Supports readers in easily selecting the most appropriate path through the book for their own needs Presents a range of examples examining the practical implications and outcomes of interdisciplinary approaches

Green Chemical Processes

Green Chemical Processes Book
Author : Mark Anthony Benvenuto
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2017-10-10
ISBN : 3110445921
Language : En, Es, Fr & De

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Book Description :

The "greening" of industry processes - i.e., making them more sustainable - is a popular and often lucrative trend which has seen increased attention in recent years. Green Chemical Processes, the 2nd volume of Green Chemical Processing, covers the hot topic of sustainability in chemistry with a view to education, as well as considering corporate and environmental interests, e.g. in the context of energy production. The diverse team of authors allows for a balance between these different, but interconnected perspectives. The American Chemical Society’s 12 Principles of Green Chemistry are woven throughout this text as well as the series to which this book belongs.

Green Chemistry

Green Chemistry Book
Author : Bela Torok,Timothy Dransfield
Publisher : Elsevier
Release : 2017-11-07
ISBN : 0128095490
Language : En, Es, Fr & De

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Book Description :

Green Chemistry: An Inclusive Approach provides a broad overview of green chemistry for researchers from either an environmental science or chemistry background, starting at a more elementary level, incorporating more advanced concepts, and including more chemistry as the book progresses. Every chapter includes recent, state-of-the-art references, in particular, review articles, to introduce researchers to this field of interest and provide them with information that can be easily built upon. By bringing together experts in multiple subdisciplines of green chemistry, the editors have curated a single central resource for an introduction to the discipline as a whole. Topics include a broad array of research fields, including the chemistry of Earth’s atmosphere, water and soil, the synthesis of fine chemicals, and sections on pharmaceuticals, plastics, energy related issues (energy storage, fuel cells, solar, and wind energy conversion etc., greenhouse gases and their handling, chemical toxicology issues of everyday products (from perfumes to detergents or clothing), and environmental policy issues. Introduces the topic of green chemistry with an overview of key concepts Expands upon presented concepts with the latest research and applications, providing both the breadth and depth researchers need Includes a broad range of application based problems to make the content accessible for professional researchers and undergraduate and graduate students Authored by experts in a broad range of fields, providing insider information on the aspects or challenges of a given field that are most important and urgent

The Organometallic Chemistry of the Transition Metals

The Organometallic Chemistry of the Transition Metals Book
Author : Robert H. Crabtree
Publisher : John Wiley & Sons
Release : 2019-07-03
ISBN : 1119465869
Language : En, Es, Fr & De

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Book Description :

Provides vital information on organometallic compounds, their preparation, and use in synthesis, and explores the fundamentals of the field and its modern applications Fully updated and expanded to reflect recent advances, the new, seventh edition of this bestselling text presents students and professional chemists with a comprehensive introduction to the principles and general properties of organometallic compounds, as well as including practical information on reaction mechanisms and detailed descriptions of contemporary applications. Increased focus is given to organic synthesis applications, nanoparticle science, and green chemistry. This edition features up-to-date examples of fundamental reaction steps and greater emphasis on key topics like oxidation catalysis, CH functionalization, nanoclusters and nanoparticles, and green chemistry. New coverage is added for computational chemistry, energy production, and biochemical aspects of organometallic chemistry. The Organometallic Chemistry of the Transition Metals, Seventh Edition provides new/enhanced chapter coverage of ligand-assisted additions and eliminations; proton-coupled electron transfer; surface, supported, and cooperative catalysis; green, energy, and materials applications; and photoredox catalysis. It covers coordination chemistry; alkyls and hydrides; Pi-complexes; and oxidative addition and reductive elimination. The book also features sections on insertion and elimination; spectroscopy; metathesis polymerization and bond activation; and more. Provides an excellent foundation of the fundamentals of organometallic chemistry Includes end-of-chapter problems and their solutions Expands and includes up-to-date examples of fundamental reaction steps and focuses on important topics such as oxidation catalysis, CH functionalization, nanoparticles, and green chemistry Features all new coverage for computational chemistry, energy production, and biochemical aspects of organometallic chemistry The Organometallic Chemistry of the Transition Metals, Seventh Edition is an insightful book that will appeal to all advanced undergraduate and graduate students in organic chemistry, organometallic chemistry, inorganic chemistry, and bioinorganic chemistry, as well as any practicing chemist in those fields.

A Handbook of Applied Biopolymer Technology

A Handbook of Applied Biopolymer Technology Book
Author : Sanjay Kumar Sharma,Ackmez Mudhoo,James H. Clark
Publisher : Royal Society of Chemistry
Release : 2011
ISBN : 1849731519
Language : En, Es, Fr & De

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Book Description :

Covers the latest research in green chemistry principles for new, environmentally friendly processes in the fields of engineering, science and technology.

Nanoscience and Computational Chemistry

Nanoscience and Computational Chemistry Book
Author : Andrew G. Mercader,Eduardo A. Castro,A. K. Haghi
Publisher : CRC Press
Release : 2013-11-23
ISBN : 1482214261
Language : En, Es, Fr & De

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Book Description :

This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and computational chemistry. Contributions range from new methods to novel applications of existing methods to help readers gain an understanding of the material and/or structural behavior of new and advanced systems. This book is a high quality tool for researchers, providing an overview of the field, explaining the basic underlying theory at a meaningful level, and giving numerous comparisons of different methods.

Theoretical and Computational Chemistry Aspects

Theoretical and Computational Chemistry Aspects Book
Author : Ponnadurai Ramasami
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2021-10-25
ISBN : 3110739801
Language : En, Es, Fr & De

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Book Description :

Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.

Green Chemistry and Biodiversity

Green Chemistry and Biodiversity Book
Author : Cristobal N. Aguilar,Suresh C. Ameta,A. K. Haghi
Publisher : CRC Press
Release : 2019-11-19
ISBN : 0429511205
Language : En, Es, Fr & De

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Book Description :

Green Chemistry and Biodiversity: Principles, Techniques, and Correlations reports on new approaches to designing chemicals and chemical transformations that are beneficial for human health and the environment, a continuing emerging important field of study. This volume provides a collection of innovative research on the development of alternative sustainable technologies, taking a broad view of the subject and integrating a wide variety of approaches. With a focus on the interdisciplinary applications of green chemistry and biodiversity, this volume will be a rich resource for scientists and researchers in many subfields of chemistry and chemical engineering.

Experimental Organic Chemistry

Experimental Organic Chemistry Book
Author : Joaquín Isac-García,José A. Dobado,Francisco G. Calvo-Flores,Henar Martínez-García
Publisher : Academic Press
Release : 2015-10-30
ISBN : 0128039353
Language : En, Es, Fr & De

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Book Description :

Experimental Organic Chemistry: Laboratory Manual is designed as a primer to initiate students in Organic Chemistry laboratory work. Organic Chemistry is an eminently experimental science that is based on a well-established theoretical framework where the basic aspects are well established but at the same time are under constant development. Therefore, it is essential for future professionals to develop a strong background in the laboratory as soon as possible, forming good habits from the outset and developing the necessary skills to address the challenges of the experimental work. This book is divided into three parts. In the first, safety issues in laboratories are addressed, offering tips for keeping laboratory notebooks. In the second, the material, the main basic laboratory procedures, preparation of samples for different spectroscopic techniques, Microscale, Green Chemistry, and qualitative organic analysis are described. The third part consists of a collection of 84 experiments, divided into 5 modules and arranged according to complexity. The last two chapters are devoted to the practices at Microscale Synthesis and Green Chemistry, seeking alternatives to traditional Organic Chemistry. Organizes lab course coverage in a logical and useful way Features a valuable chapter on Green Chemistry Experiments Includes 84 experiments arranged according to increasing complexity

Sustainable Green Chemistry

Sustainable Green Chemistry Book
Author : Mark Anthony Benvenuto
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2017-04-10
ISBN : 3110435853
Language : En, Es, Fr & De

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Book Description :

Sustainable Green Chemistry, the 1st volume of Green Chemical Processing, covers several key aspects of modern green processing. The scope of this volume goes beyond bio- and organic chemistry, highlighting the ecological and economic benefits of enhanced sustainability in such diverse fields as petrochemistry, metal production and wastewater treatment. The authors discuss recent progresses and challenges in the implementation of green chemical processes as well as their transfer from academia to industry and teaching at all levels. Selected successes in the greening of established processes and reactions are presented, including the use of switchable polarity solvents, actinide recovery using ionic liquids, and the removal of the ubiquitous bisphenol A molecule from effluent streams by phytodegradation.

Modern Green Chemistry and Heterocyclic Compounds

Modern Green Chemistry and Heterocyclic Compounds Book
Author : Ravindra S. Shinde,A. K. Haghi
Publisher : CRC Press
Release : 2020-03-31
ISBN : 1000029174
Language : En, Es, Fr & De

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Book Description :

This book covers the general properties of heterocyclic compounds and methods for their preparation to use in applications of green chemistry. Heterocyclic compounds are an important class of molecules in organic chemistry due to their presence in natural products and their use in pharmaceuticals and new materials. They also play a vital role in the metabolism of living cells. Heterocyclic compounds have a wide range of applications in agrochemicals, pharmaceuticals, veterinary products, etc. This research-oriented volume is ideal for readers who want to fully realize the almost limitless potential of heterocyclic compounds and to discover new and effective pharmaceuticals among heterocyclic compounds, the largest and most varied family of organic compounds. The book features several case studies and step-by-step descriptions of synthetic methods and practical techniques. It also serves as a guide for chemists, offering them new insights and new paths to explore for effective drug discovery.

Green Chemistry for Environmental Sustainability

Green Chemistry for Environmental Sustainability Book
Author : Sanjay K. Sharma,Ackmez Mudhoo
Publisher : CRC Press
Release : 2010-07-19
ISBN : 1439824746
Language : En, Es, Fr & De

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Book Description :

When the Nobel Prize Committee recognized the importance of green chemistry with its 2005 Nobel Prize for Chemistry, this relatively new science came into its own. Although no concerted agreement has been reached yet about the exact content and limits of this interdisciplinary discipline, there seems to be increasing interest in environmental topic

Green Techniques for Organic Synthesis and Medicinal Chemistry

Green Techniques for Organic Synthesis and Medicinal Chemistry Book
Author : Wei Zhang,Berkeley W. Cue
Publisher : John Wiley & Sons
Release : 2018-01-16
ISBN : 1119288177
Language : En, Es, Fr & De

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Book Description :

An updated overview of the rapidly developing field of green techniques for organic synthesis and medicinal chemistry Green chemistry remains a high priority in modern organic synthesis and pharmaceutical R&D, with important environmental and economic implications. This book presents comprehensive coverage of green chemistry techniques for organic and medicinal chemistry applications, summarizing the available new technologies, analyzing each technique’s features and green chemistry characteristics, and providing examples to demonstrate applications for green organic synthesis and medicinal chemistry. The extensively revised edition of Green Techniques for Organic Synthesis and Medicinal Chemistry includes 7 entirely new chapters on topics including green chemistry and innovation, green chemistry metrics, green chemistry and biological drugs, and the business case for green chemistry in the generic pharmaceutical industry. It is divided into 4 parts. The first part introduces readers to the concepts of green chemistry and green engineering, global environmental regulations, green analytical chemistry, green solvents, and green chemistry metrics. The other three sections cover green catalysis, green synthetic techniques, and green techniques and strategies in the pharmaceutical industry. Includes more than 30% new and updated material—plus seven brand new chapters Edited by highly regarded experts in the field (Berkeley Cue is one of the fathers of Green Chemistry in Pharma) with backgrounds in academia and industry Brings together a team of international authors from academia, industry, government agencies, and consultancies (including John Warner, one of the founders of the field of Green Chemistry) Green Techniques for Organic Synthesis and Medicinal Chemistry, Second Edition is an essential resource on green chemistry technologies for academic researchers, R&D professionals, and students working in organic chemistry and medicinal chemistry.

Structural Analysis using Computational Chemistry

Structural Analysis using Computational Chemistry Book
Author : Norma Aurea Rangel-Vázquez
Publisher : River Publishers
Release : 2016-09-30
ISBN : 8793379854
Language : En, Es, Fr & De

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Book Description :

Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: Quantum mechanics and structural molecular study (AM1)Application of quantum models in molecular analysisMolecular analysis of insulin through controlled adsorption in hydrogels based on chitosanAnalysis and molecular characterization of organic materials for application in solar cellsDetermination of thermodynamic properties of ionic liquids through molecular simulation

Green Chemistry Education

Green Chemistry Education Book
Author : Mark Anthony Benvenuto,Larry Kolopajlo
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2018-12-17
ISBN : 3110565889
Language : En, Es, Fr & De

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Book Description :

The “greening” of industry processes, i.e. making them more sustainable, is a popular and often lucrative trend which has emerged over recent years. The 4th volume of Green Chemical Processing considers sustainable chemistry in the context of education and explores didactic approached. The American Chemical Society’s 12 Principles of Green Chemistry are woven throughout this text as well as the series to which this book belongs.

Green Chemistry and Technologies

Green Chemistry and Technologies Book
Author : Long Zhang,Changsheng Gong,Dai Bin
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2018-09-24
ISBN : 3110479311
Language : En, Es, Fr & De

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Book Description :

The book gives a systematic introduction to green chemistry principles and technologies in inorganic and organic chemistry, polymer sciences and pharmaceutical industry. It also discusses the use of biomass and marine resources for synthesis as well as renewable energy utilization and the concepts and evaluation of recycling economy and eco-industrial parks.

Worldwide Trends in Green Chemistry Education

Worldwide Trends in Green Chemistry Education Book
Author : Vânia Zuin,Liliana Mammino
Publisher : Royal Society of Chemistry
Release : 2015-06-01
ISBN : 1782625364
Language : En, Es, Fr & De

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Book Description :

Educating the next generation of chemists about green chemistry issues, such as waste minimisation and clean synthesis, is vital for environmental sustainability. This book enables green issues to be taught from the underlying principles of all chemistry courses rather than in isolation. Chapters contributed by green chemistry experts from across the globe, with experience in teaching at different academic levels, provide a coherent overview of possible approaches to incorporate green chemistry into existing curriculums. Split into three sections, the book first introduces sustainability and green chemistry education , before focussing on high school green chemistry education initiatives and green chemistry education at undergraduate and post-graduate levels. Useful laboratory experiments and in-class activities to aid teaching are included. This book is a valuable resource for chemical educators worldwide who wish to integrate green chemistry into chemical education in a systematic and holistic way. It is also of interest to anyone wanting to learn more about the different approaches adopted around the world in sustainability education.

Integrating Green and Sustainable Chemistry Principles into Education

Integrating Green and Sustainable Chemistry Principles into Education Book
Author : Andrew P. Dicks,Loyd D. Bastin
Publisher : Elsevier
Release : 2019-07-19
ISBN : 0128174196
Language : En, Es, Fr & De

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Book Description :

Integrating Green and Sustainable Chemistry Principles into Education draws on the knowledge and experience of scientists and educators already working on how to encourage green chemistry integration in their teaching, both within and outside of academia. It highlights current developments in the field and outlines real examples of green chemistry education in practice, reviewing initiatives and approaches that have already proven effective. By considering both current successes and existing barriers that must be overcome to ensure sustainability becomes part of the fabric of chemistry education, the book's authors hope to drive collaboration between disciplines and help lay the foundations for a sustainable future. Draws on the knowledge and expertise of scientists and educators already working to encourage green chemistry integration in their teaching, both within and outside of academia Highlights current developments in the field and outlines real examples of green chemistry education in practice, reviewing initiatives and approaches that have already proven effective Considers both current successes and existing barriers that must be overcome to ensure sustainability

Handbook of Computational Quantum Chemistry

Handbook of Computational Quantum Chemistry Book
Author : David B. Cook
Publisher : Oxford University Press, USA
Release : 1998
ISBN : 9780198501145
Language : En, Es, Fr & De

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Book Description :

Quantum chemistry forms the basis of molecular modelling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This up-to-date and comprehensive text provides an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Written in a straightforward and accessible manner, Computational Quantum Chemistry provides a current account of a subject that has expanded enormously over the past decade.

Computational Toxicology

Computational Toxicology Book
Author : Sean Ekins
Publisher : John Wiley & Sons
Release : 2018-02-13
ISBN : 111928256X
Language : En, Es, Fr & De

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Book Description :

A key resource for toxicologists across a broad spectrum of fields, this book offers a comprehensive analysis of molecular modelling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals. • Provides a perspective of what is currently achievable with computational toxicology and a view to future developments • Helps readers overcome questions of data sources, curation, treatment, and how to model / interpret critical endpoints that support 21st century hazard assessment • Assembles cutting-edge concepts and leading authors into a unique and powerful single-source reference • Includes in-depth looks at QSAR models, physicochemical drug properties, structure-based drug targeting, chemical mixture assessments, and environmental modeling • Features coverage about consumer product safety assessment and chemical defense along with chapters on open source toxicology and big data