Celebrating the Work of Prof. Sourav Pal: Computational Approaches in Catalysis
Author: Soumyajit Roy
Publisher: Frontiers Media SA
Published: 2022-05-25
Total Pages: 160
ISBN-13: 2889762106
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New and Future Developments in Catalysis
Author: Steven L Suib
Publisher: Newnes
Published: 2013-07-11
Total Pages: 659
ISBN-13: 0444538836
DOWNLOAD EBOOKNew and Future Developments in Catalysis is a package of books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes.This volume presents a complete picture of all carbon dioxide (CO2) sources, outlines the environmental concerns regarding CO2, and critically reviews all current CO2 activation processes. Furthermore, the volume discusses all future developments and gives a critical economic analysis of the various processes. - Offers in-depth coverage of all catalytic topics of current interest and outlines future challenges and research areas - A clear and visual description of all parameters and conditions, enabling the reader to draw conclusions for a particular case - Outlines the catalytic processes applicable to energy generation and design of green processes
Hydrodynamic Cavitation
Author: Vivek V. Ranade
Publisher: John Wiley & Sons
Published: 2022-10-25
Total Pages: 357
ISBN-13: 3527346457
DOWNLOAD EBOOKHydrodynamic Cavitation A systematic introduction to critical technologies and applications of hydrodynamic cavitation In Hydrodynamic Cavitation: Devices, Design, and Applications, a distinguished team of researchers delivers an authoritative discussion of key aspects of hydrodynamic cavitation, including the design, characterization, and modeling of the devices. The book offers discussions of state-of-the-art applications of the technology, including the disinfection of water, wastewater treatment, biomass processing, and many other industrial applications. In addition to expansive case studies, the book provides an up-to-date exploration of emerging innovations and future applications of the technology. Readers will also find: A thorough introduction to hydrodynamic cavitation devices, including those based on axial and rotational flows An in-depth examination of the experimental characterization of cavitation devices and computational models Comprehensive explorations of the applications of hydrodynamic cavitation, including the disinfection of water and wastewater treatment Accessible discussions of industrial applications of hydrodynamic cavitation Perfect for chemical and process engineers, water chemists, mechanical engineers, and food chemists, Hydrodynamic Cavitation will also earn a place in the libraries of food and environmental technologists.
Chemical Reactivity Theory
Author: Pratim Kumar Chattaraj
Publisher: CRC Press
Published: 2009-02-23
Total Pages: 612
ISBN-13: 1420065440
DOWNLOAD EBOOKIn the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe
Diffusion in Nanoporous Materials, 2 Volumes
Author: Jörg Kärger
Publisher: John Wiley & Sons
Published: 2012-10-29
Total Pages: 932
ISBN-13: 352731024X
DOWNLOAD EBOOKAtoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling.
Drug Design
Author: Gerhard Klebe
Publisher: Springer
Published: 2013-07-10
Total Pages: 0
ISBN-13: 9783642179068
DOWNLOAD EBOOKUnique work on structure-based drug design, covering multiple aspects of drug discovery and development. Fully colored, many images, computer animations of 3D structures (these only in electronic form). Makes the spatial aspects of interacting molecules clear to the reader, covers multiple applications and methods in drug design. Structures by mode of action, no therapeutic areas. Of high relevance for academia and industrial research. Focus on gene technology in drug design, omics-technologies computational methods experimental techniques of structure determination multiple examples on mode of action of current drugs, ADME-tox properties in drug development, QSAR methods, combinatorial chemistry, biologicals, ribosome, targeting protein-protein interfaces.
Specific Ion Effects
Author: Werner Kunz
Publisher: World Scientific
Published: 2010
Total Pages: 347
ISBN-13: 9814271586
DOWNLOAD EBOOKSpecific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.
Density-Functional Theory of Atoms and Molecules
Author: Robert G. Parr
Publisher: Oxford University Press
Published: 1994-05-26
Total Pages: 344
ISBN-13: 0195357736
DOWNLOAD EBOOKThis book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
A Chemist's Guide to Density Functional Theory
Author: Wolfram Koch
Publisher: John Wiley & Sons
Published: 2015-11-18
Total Pages: 378
ISBN-13: 3527802819
DOWNLOAD EBOOK"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!" Paul von Rague Schleyer "A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems." J. F. Stanton, J. Am. Chem. Soc. "The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably." P. C. H. Mitchell, Appl. Organomet. Chem. "The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems." M. Kaupp, Angew. Chem.
Nanomaterials for Sustainable Energy
Author: Quan Li
Publisher: Springer
Published: 2016-05-12
Total Pages: 602
ISBN-13: 3319320238
DOWNLOAD EBOOKThis book presents the unique mechanical, electrical, and optical properties of nanomaterials, which play an important role in the recent advances of energy-related applications. Different nanomaterials have been employed in energy saving, generation, harvest, conversion, storage, and transport processes very effectively and efficiently. Recent progress in the preparation, characterization and usage of 1D, 2D nanomaterials and hybrid architectures for energy-related applications and relevant technologies and devices, such as solar cells, thermoelectronics, piezoelectronics, solar water splitting, hydrogen production/storage, fuel cells, batteries, and supercapacitors is covered. Moreover, the book also highlights novel approaches in nanomaterials design and synthesis and evaluating materials sustainability issues. Contributions from active and leading experts regarding important aspects like the synthesis, assembly, and properties of nanomaterials for energy-related applications are compiled into a reference book. As evident from the diverse topics, the book will be very valuable to researchers working in the intersection of physics, chemistry, biology, materials science and engineering. It may set the standard and stimulates future developments in this rapidly emerging fertile frontier of nanomaterials for energy.
