Green Chemistry and Computational Chemistry

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

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  • Author : Liliana L. Mammino
  • Publisher : Elsevier
  • Pages : 450 pages
  • ISBN : 9780128198797
  • Rating : 4/5 from 21 reviews
CLICK HERE TO GET THIS BOOKGreen Chemistry and Computational Chemistry

Green Chemistry and Computational Chemistry

Green Chemistry and Computational Chemistry
  • Author : Liliana L. Mammino
  • Publisher : Elsevier
  • Release : 15 June 2021
GET THIS BOOKGreen Chemistry and Computational Chemistry

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

Nanoscience and Computational Chemistry

Nanoscience and Computational Chemistry
  • Author : Andrew G. Mercader,Eduardo A. Castro,A. K. Haghi
  • Publisher : CRC Press
  • Release : 23 November 2013
GET THIS BOOKNanoscience and Computational Chemistry

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

High-Performance Computing

High-Performance Computing
  • Author : R.J. Allan,M.F. Guest,A.D. Simpson,D.S. Henty,D. Nicole
  • Publisher : Springer Science & Business Media
  • Release : 06 December 2012
GET THIS BOOKHigh-Performance Computing

Over the past decade high performance computing has demonstrated the ability to model and predict accurately a wide range of physical properties and phenomena. Many of these have had an important impact in contributing to wealth creation and improving the quality of life through the development of new products and processes with greater efficacy, efficiency or reduced harmful side effects, and in contributing to our ability to understand and describe the world around us. Following a survey ofthe U.K.

Theory and Applications of Computational Chemistry

Theory and Applications of Computational Chemistry
  • Author : Clifford Dykstra,Gernot Frenking,Kwang Kim,Gustavo Scuseria
  • Publisher : Elsevier
  • Release : 13 October 2011
GET THIS BOOKTheory and Applications of Computational Chemistry

Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies

Modern Green Chemistry and Heterocyclic Compounds

Modern Green Chemistry and Heterocyclic Compounds
  • Author : Ravindra S. Shinde,A. K. Haghi
  • Publisher : CRC Press
  • Release : 31 March 2020
GET THIS BOOKModern Green Chemistry and Heterocyclic Compounds

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

Essentials of Computational Chemistry

Essentials of Computational Chemistry
  • Author : Christopher J. Cramer
  • Publisher : John Wiley & Sons
  • Release : 29 April 2013
GET THIS BOOKEssentials of Computational Chemistry

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Computational Chemistry and Molecular Modeling

Computational Chemistry and Molecular Modeling
  • Author : K. I. Ramachandran,Gopakumar Deepa,Krishnan Namboori
  • Publisher : Springer Science & Business Media
  • Release : 20 May 2008
GET THIS BOOKComputational Chemistry and Molecular Modeling

The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (

Green Chemistry and Engineering

Green Chemistry and Engineering
  • Author : Anne E. Marteel-Parrish,Martin A. Abraham
  • Publisher : John Wiley & Sons
  • Release : 10 October 2013
GET THIS BOOKGreen Chemistry and Engineering

Although many were skeptical of the green chemistry movement atfirst, it has become a multimillion-dollar business. In preventingthe creation of hazardous wastes, laboratories and corporations cansave millions in clean up efforts and related health costs. Thisbook supplies students with concepts commonly taught inundergraduate general chemistry and general engineering courses,but with a green perspective. It is unique in presenting anintegrated discussion of green chemistry and engineering from firstprinciples – not as an afterthought. Real-world examples showcreative problem solving based on the

Green Chemistry

Green Chemistry
  • Author : Bela Torok,Timothy Dransfield
  • Publisher : Elsevier
  • Release : 07 November 2017
GET THIS BOOKGreen Chemistry

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

Green Processes

Green Processes
  • Author : Anonim
  • Publisher : John Wiley & Sons
  • Release : 22 April 2014
GET THIS BOOKGreen Processes

Edited by Professor CJ Li, one of the leading international experts in the fields of Green Chemistry and Green Synthesis, this volume presents such hot topics as synthesis without protecting groups, multi-component reactions, and synthesis in green solvents. The Handbook of Green Chemistry comprises of 9 volumes in total, split into 3 subject-specific sets. The three sets are available individually. All 9 volumes are available individually, too. Set I: Green Catalysis - Volume 1: Homogeneous Catalysis - Volume 2: Heterogeneous Catalysis - Volume 3: Biocatalysis Set

Computational Chemistry Methodology in Structural Biology and Materials Sciences

Computational Chemistry Methodology in Structural Biology and Materials Sciences
  • Author : Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey
  • Publisher : CRC Press
  • Release : 03 October 2017
GET THIS BOOKComputational Chemistry Methodology in Structural Biology and Materials Sciences

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents

Frontiers in Chemistry: Rising Stars

Frontiers in Chemistry: Rising Stars
  • Author : Steve Suib,Huangxian Ju,Serge Cosnier,Bunsho Ohtani,John D. Wade,Gil Garnier,Nosang Vincent Myung,Luís D. Carlos,Michael Kassiou,Fan Zhang,Iwao Ojima,Pellegrino Musto,Tony D. James,Thomas S. Hofer,Sam P. De Visser
  • Publisher : Frontiers Media SA
  • Release : 17 April 2020
GET THIS BOOKFrontiers in Chemistry: Rising Stars

The Frontiers in Chemistry Editorial Office team are delighted to present the inaugural “Frontiers in Chemistry: Rising Stars” article collection, showcasing the high-quality work of internationally recognized researchers in the early stages of their independent careers. All Rising Star researchers featured within this collection were individually nominated by the Journal’s Chief Editors in recognition of their potential to influence the future directions in their respective fields. The work presented here highlights the diversity of research performed across the entire

Handbook of Computational Chemistry

Handbook of Computational Chemistry
  • Author : Jerzy Leszczynski
  • Publisher : Springer Science & Business Media
  • Release : 13 January 2012
GET THIS BOOKHandbook of Computational Chemistry

This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.

Aquatic Environmental Chemistry

Aquatic Environmental Chemistry
  • Author : Alan G. Howard
  • Publisher : OUP Oxford
  • Release : 23 July 1998
GET THIS BOOKAquatic Environmental Chemistry

Equilibrium inorganic chemistry underlies the composition and properties of the aquatic environment and provides a sound basis for understanding both natural geochemical processes and the behaviour of inorganic pollutants in the environment. This clear and progressive introduction to the topic uses a wide range of examples to explain the behaviour of chemical species in aquatic systems.

Quantum Chemistry and Dynamics of Excited States

Quantum Chemistry and Dynamics of Excited States
  • Author : Leticia González,Roland Lindh
  • Publisher : John Wiley & Sons
  • Release : 10 November 2020
GET THIS BOOKQuantum Chemistry and Dynamics of Excited States

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