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Books > Science & Mathematics > Chemistry

Analytical Tools and Industrial Applications for Chemical Processes and Polymeric Materials (Paperback): Slavcho Kirillov... Analytical Tools and Industrial Applications for Chemical Processes and Polymeric Materials (Paperback)
Slavcho Kirillov Rakovsky, Ryszard Kozlowski, Nekane Guarrotxena
R2,599 Discovery Miles 25 990 Ships in 12 - 17 working days

In a unified treatment for the broad subject of materials, this book presents some fascinating phenomena associated with the remarkable performance of polymers and chemical materials. It provides a comprehensive description of the applications and tools for chemical polymeric materials. It also includes the background information necessary for assimilating the current academic literature on complex materials and their applications.

The Fractal Physics of Polymer Synthesis (Paperback): G.V. Kozlov, A. K. Mikitaev, Gennady Efremovich Zaikov The Fractal Physics of Polymer Synthesis (Paperback)
G.V. Kozlov, A. K. Mikitaev, Gennady Efremovich Zaikov
R2,599 Discovery Miles 25 990 Ships in 12 - 17 working days

Using fractal analysis, irreversible aggregation models, synergetics, and percolation theory, this book describes the main reactions of high-molecular substances. It is the first to give the structural and physical grounds of polymers synthesis and curing based on fractal analysis. It provides a single equation for describing the relationship between the reaction rate constants and the equilibrium constants with the nature of the medium.

Chemistry and Physics of Complex Materials - Concepts and Applications (Paperback): Maria Rajkiewicz, Wiktor Tyszkiewicz,... Chemistry and Physics of Complex Materials - Concepts and Applications (Paperback)
Maria Rajkiewicz, Wiktor Tyszkiewicz, Zbigniew Wertejuk
R2,618 Discovery Miles 26 180 Ships in 12 - 17 working days

This book offers a comprehensive presentation of the concepts, properties, and applications of complex materials. Authors of each chapter use a fundamental approach to define the structure and properties of a wide range of solids on the basis of the local chemical bonding and atomic order present in the material. Emphasizing the physical and chemical origins of different material properties, this important volume focuses on the most technologically important materials being utilized and developed by scientists and engineers.

Nanoscience and Computational Chemistry - Research Progress (Paperback): Andrew G. Mercader, Eduardo A. Castro, A.K. Haghi Nanoscience and Computational Chemistry - Research Progress (Paperback)
Andrew G. Mercader, Eduardo A. Castro, A.K. Haghi
R2,615 Discovery Miles 26 150 Ships in 12 - 17 working days

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.

Engineering Mechanics of Polymeric Materials - Theories, Properties and Applications (Paperback): Gabil Garibxan Ogli Aliyev,... Engineering Mechanics of Polymeric Materials - Theories, Properties and Applications (Paperback)
Gabil Garibxan Ogli Aliyev, Faig Bakhman Ogli Naghiyev
R2,584 Discovery Miles 25 840 Ships in 12 - 17 working days

This book covers the theory of the strength of laminated and reinforced structures made of polymer materials with regard to the changeability of physico-chemical properties is examined. It presents an experimental-theoretical method on the definition of physico-mechanical properties of polymers composite materials and polymerized bundles made of fibers with emphasis on the changes of physico-chemical properties of the materials. With mathematical strictness, the experimental and theoretical studies presented here will aid in the development of reliable methods and new practices of analyzing structures with the influence of chemically aggressive liquids and gases and in the creation of specific production structures that will withstand corrosive environments.

Bioscience Methodologies in Physical Chemistry - An Engineering and Molecular Approach (Paperback): Alberto D'Amore, A.K.... Bioscience Methodologies in Physical Chemistry - An Engineering and Molecular Approach (Paperback)
Alberto D'Amore, A.K. Haghi, Gennady Efremovich Zaikov
R2,618 Discovery Miles 26 180 Ships in 12 - 17 working days

The field of bioscience methodologies in physical chemistry stands at the intersection of the power and generality of classical and quantum physics with the minute molecular complexity of chemistry and biology. This book provides an application of physical principles in explaining and rationalizing chemical and biological phenomena. It does not stick to the classical topics that are conventionally considered as part of physical chemistry; instead it presents principles deciphered from a modern point of view, which is the strength of this book.

Polymer Products and Chemical Processes - Techniques, Analysis, and Applications (Paperback): Richard A. Pethrick, Eli M.... Polymer Products and Chemical Processes - Techniques, Analysis, and Applications (Paperback)
Richard A. Pethrick, Eli M. Pearce, Gennady E. Zaikov
R2,591 Discovery Miles 25 910 Ships in 12 - 17 working days

This new volume presents leading-edge research in the rapidly changing and evolving field of polymer science as well as on chemical processing. The topics in the book reflect the diversity of research advances in the production and application of modern polymeric materials and related areas, focusing on the preparation, characterization, and applications of polymers. Also covered are various manufacturing techniques. The book will help to fill the gap between theory and practice in industry.

Foundations of High Performance Polymers - Properties, Performance and Applications (Paperback): Abbas Hamrang, Bob A Howell Foundations of High Performance Polymers - Properties, Performance and Applications (Paperback)
Abbas Hamrang, Bob A Howell
R2,604 Discovery Miles 26 040 Ships in 12 - 17 working days

This book presents some fascinating phenomena associated with the remarkable features of high performance polymers and also provides an update on applications of modern polymers. It offers new research on structure-property relationships, synthesis and purification, and potential applications of high performance polymers. The collection of topics in this book reflects the diversity of recent advances in modern polymers with a broad perspective that will be useful for scientists as well as for graduate students and engineers. The book opens with a presentation of classical models, moving on to increasingly more complex quantum mechanical and dynamical theories. Coverage and examples are drawn from modern polymers. Topics include high performance polymers and computer science integration in biochemical, green polymers, molecular nanotechnology, and industrial chemistry.

Chemical Process in Liquid and Solid Phase - Properties, Performance and Applications (Paperback): Alfonso Jim enez, Ali... Chemical Process in Liquid and Solid Phase - Properties, Performance and Applications (Paperback)
Alfonso Jim enez, Ali Pourhashemi
R2,626 Discovery Miles 26 260 Ships in 12 - 17 working days

This new book offers research and updates on the chemical process in liquid and solid phases. The collection of topics in this book reflect the diversity of recent advances in chemical processes with a broad perspective that will be useful to scientists as well as graduate students and engineers. The book will help to fill the gap between theory and practice in industry.

Progress in Polymer Materials Science - Research, Development and Applications (Paperback): Gennady E. Zaikov, Oleg V Stoyanov,... Progress in Polymer Materials Science - Research, Development and Applications (Paperback)
Gennady E. Zaikov, Oleg V Stoyanov, Elena I Kulish
R2,586 Discovery Miles 25 860 Ships in 12 - 17 working days

With chapters by the editors and other experts in the field of polymer science, this book covers a broad selection of important research advances in the field, including updates on enzymatic destruction and photoelectric characteristics, studies on the changes in the polymer molecular mass during hydrolysis and a new type of bioadditive for motor fuel, and an exploration of the interrelation of viscoelastic and electromagnetic properties of densely cross-linked polymers. Also included are chapters that discuss the problems of mechanics of textile performance, new aspects of polymeric nanofibers, a mathematical model of nanofragment cross-linked polymers, and much more.

Advances in Kinetics and Mechanism of Chemical Reactions (Paperback): Gennady E. Zaikov, Artur J.M. Valente, Alexei L.... Advances in Kinetics and Mechanism of Chemical Reactions (Paperback)
Gennady E. Zaikov, Artur J.M. Valente, Alexei L. Iordanskii
R2,578 Discovery Miles 25 780 Ships in 12 - 17 working days

Advances in Kinetics and Mechanism of Chemical Reactions describes the chemical physics and/or chemistry of ten novel material or chemical systems. These ten novel material or chemical systems are examined in the context of various issues, including structure and bonding, reactivity, transport properties, polymer properties, or biological characteristics. This eclectic survey encompasses a special focus on the associated kinetics, reaction mechanism, or other chemical physics properties of these ten chosen material or chemical systems. The most contemporary chemical physics methods and principles are applied to the characterization of the these ten properties. The coverage is broad, ranging from the study of biopolymers to the analysis of antioxidant and medicinal chemical activity, on the one hand, to the determination of the chemical kinetics of not chemical systems and the characterization of elastic properties of novel nanometer scale material systems on the other. The chemical physics methods used to characterize these ten novel systems are state-of-the-art, and the results should be intriguing to those in the chemistry, physics, and nanoscience fields, include scientists engaged in chemical physics research and the polymer chemistry.

Progress in Organic and Physical Chemistry - Structures and Mechanisms (Paperback): Gennady E. Zaikov, Alexander N... Progress in Organic and Physical Chemistry - Structures and Mechanisms (Paperback)
Gennady E. Zaikov, Alexander N Goloshchapov, Anton V. Lobanov
R2,588 Discovery Miles 25 880 Ships in 12 - 17 working days

Progress in Organic and Physical Chemistry: Structures and Mechanisms provides a collection of new research in the field of organic and physical properties, including new research on: The physical principles of the conductivity of electrical conducting polymer compounds The dependence on constants of electromagnetic interactions upon electron spacial-energy characteristics Effects of chitosan molecultural weight on rehological behavior of chitosan modified nanoclay at hight hydrated state Bio-structural energy criteria of functional states in normal and pathological conditions Potentiometric study on the international between devalent cations and sodium carboxylates in aqueous solutions Structural characteristic changes in erythrocyte membranes of mice bearing Alzheimer's-like disease caused by the olfactory bulbetomy This volume is intended to provide an overview of new studies and research for engineers, faculty, researchers, and upper-level students in the field of organic and physical chemistry.

Green Chemistry - Fundamentals and Applications (Paperback): Suresh C. Ameta, Rakshit Ameta Green Chemistry - Fundamentals and Applications (Paperback)
Suresh C. Ameta, Rakshit Ameta
R2,603 Discovery Miles 26 030 Ships in 12 - 17 working days

This book highlights the potential and scope of green chemistry for clean and sustainable development. Covering the basics, the book introduces readers to the need and the many applications and benefits and advantages of environmentally friendly chemical practice and application in industry. The book addresses such topics as ecologically safe products, catalysts and solvents, conditions needed to produce such products, types of chemical processes that are conducive to green chemistry, and much more.

Algorithmic Techniques for the Polymer Sciences (Paperback): Bradley S. Tice Algorithmic Techniques for the Polymer Sciences (Paperback)
Bradley S. Tice
R2,580 Discovery Miles 25 800 Ships in 12 - 17 working days

This new book-the first of its kind-examines the use of algorithmic techniques to compress random and non-random sequential strings found in chains of polymers. The book is an introduction to algorithmic complexity. Examples taken from current research in the polymer sciences are used for compression of like-natured properties as found on a chain of polymers. Both theory and applied aspects of algorithmic compression are reviewed. A description of the types of polymers and their uses is followed by a chapter on various types of compression systems that can be used to compress polymer chains into manageable units. The work is intended for graduate and postgraduate university students in the physical sciences and engineering.

Computational and Experimental Chemistry - Developments and Applications (Paperback): Tanmoy Chakraborty, Michael J. Bucknum,... Computational and Experimental Chemistry - Developments and Applications (Paperback)
Tanmoy Chakraborty, Michael J. Bucknum, Eduardo A. Castro
R2,595 Discovery Miles 25 950 Ships in 12 - 17 working days

This book covers a range of new research on computational quantum chemistry, along with a special section devoted to exotic carbon allotropes and spiro quantum theory. The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. The second part of the book covers a range of new research on computational quantum chemistry.

Composites and Nanocomposites (Paperback): A.K. Haghi, Oluwatobi Samuel Oluwafemi, Josmin P. Jose, Hanna J. Maria Composites and Nanocomposites (Paperback)
A.K. Haghi, Oluwatobi Samuel Oluwafemi, Josmin P. Jose, Hanna J. Maria
R2,578 Discovery Miles 25 780 Ships in 12 - 17 working days

This new book provides a solid understanding of the recent developments in the field of composites and nanocomposites. It explains the significance of the new fillers, such as graphene and arbon nanotubes in different matrix systems. The application of these materials in biological and others fields also makes this book unique. This detailed study of nanocomposites, their structure, processing and characterization will be of value in all walks of engineering life. The book covers the following topics: * polymer matrix composites * ceramic matrix composites * carbon matrix composites * wood-based composites * biocomposites * ecocomposites * nanocomposites * processing * properties * fracture and damage mechanics * durability * and more Composite materials are solids that contain two or more distinct constituent materials or phases, on a scale larger than the atomic. The term "composite" is usually reserved for those materials in which the distinct phases are separated on a scale larger than the atomic, and in which properties such as the elastic modulus are significantly altered in comparison with those of a homogeneous material. Composites have properties that cannot be achieved by either of the constituent materials alone. Composites are becoming more and more important as they can help improve our quality of life. Composites are put into service in flight vehicles, automobiles, boats, pipelines, buildings, roads, bridges, and dozens of other products. Researchers are finding ways to improve other qualities of composites so they may be strong, lightweight, long-lived, and inexpensive to produce. The science and engineering of composites and nanocomposites draws on traditional characterization and processing technologies. Research describing structures containing nanoparticles seems to rely on methods that are being pushed to the limit of resolution. Preparation of nanocomposites also poses very real processing challenges. The list of questions about the fabrication, characterization, and use of nanocomposites is long despite massive financial and intellectual investment. The magnitude of the effects these small particles impart to the bulk properties of a composite are great enough that the science is likely to continue to grow in importance.

Recycling and Reuse of Materials and Their Products (Paperback): Yves Grohens, S. Kishor Kumar, Abderrahim Boudenne, Yang Weimin Recycling and Reuse of Materials and Their Products (Paperback)
Yves Grohens, S. Kishor Kumar, Abderrahim Boudenne, Yang Weimin
R2,581 Discovery Miles 25 810 Ships in 12 - 17 working days

This important book is an overall analysis of different innovative methods and ways of recycling in connection with various types of materials. It aims to provide a basic understanding about polymer recycling and its reuse as well as presents an in-depth look at various recycling methods. It provides a thorough knowledge about the work being done in recycling in different parts of the world and throws light on areas that need to be further explored. Emphasizing eco-friendly methods and recovery of useful materials The book covers a wide variety of innovative recycling methods and research, including * Green methods of recycling * Effective conversion of biomass and municipal wastes to energy-generating systems * A catalyst for the reuse of glycerol byproduct * Methods of adsorption to treat wastewater and make it suitable for irrigation and other purposes * Disposal of sludge * The use of calcined clay to replace both fine and coarse aggregates * Recycling of rubbers * The production of a sorbent material for paper mill sludge * Replacing polypropylene absorbent in oil spill sanitations * The use of natural fibers for various industrial applications * Cashew nut shell liquid as a source of surface active reagents * Integrated power and cooling systems based on biomass * Recycling water from household laundering * much more

Mechanical and Physico-Chemical Characteristics of Modified Materials - Performance Evaluation and Selection (Paperback):... Mechanical and Physico-Chemical Characteristics of Modified Materials - Performance Evaluation and Selection (Paperback)
Seghir Maamir, A.K. Haghi
R2,594 Discovery Miles 25 940 Ships in 12 - 17 working days

Understanding chemical and solid materials and their properties and behavior is fundamental to chemical and engineering design. With some of the world's leading experts describing their most recent research, this book describes the procedures for material selection and design to ensure that the most suitable materials for a given application are identified from the full range of materials, chemicals, and section shapes available. Several case studies have been developed to further illustrate procedures and to add to the practical implementation of the text.

Multifunctional Materials and Modeling (Paperback): M. A. Korepanov, A.M. Lipanov, Gennady E. Zaikov, A.K. Haghi Multifunctional Materials and Modeling (Paperback)
M. A. Korepanov, A.M. Lipanov, Gennady E. Zaikov, A.K. Haghi
R2,598 Discovery Miles 25 980 Ships in 12 - 17 working days

This important book presents a valuable collection of new research and new trends in nanomaterials, mesoscopy, quantum chemistry, and chemical physics processes. It highlights the development of nanomaterials as well as investigation of combustion and explosion processes. It highlights new trends in processes and methods of the treatment of polymeric materials and also covers material modification, including super small quantities of metal/carbon nanocomposites as well as new information on the modeling of processes and quantum calculations. Nonlinear kinetic appearances and their applications are highlighted as well.

Analysis and Performance of Engineering Materials - Key Research and Development (Paperback): Gennady E. Zaikov Analysis and Performance of Engineering Materials - Key Research and Development (Paperback)
Gennady E. Zaikov
R2,622 Discovery Miles 26 220 Ships in 12 - 17 working days

This new book facilitates the study of problematic chemicals in such applications as chemical fate modeling, chemical process design, and experimental design. It provides a valuable overview of current chemical processes, products, and practices and analyzes theories to formulate and prove physicochemical principles. It addresses the production and application of polymers, including chemical, physicochemical, and purely physical methods of examination. Topics include: * Radiotransparent fiberglass plastic products based on highly cross-linked polymer matrices * Properties and development of hyaluronan (HA) for pharmaceutical applications * Adhesive bonding of steel sheets treated by nitrooxidation in comparison with nontreated steel * Results of simulation by the Monte Carlo method of kinetics of three-dimensional free-radical polymerization of tetrafunctional monomers (TFM) * Elastomeric compositions based on systems with functionally active components for extreme conditions * Experimental research on efficient clearing of gas emissions in the manufacture of ceramic materials * The use of solar cells in the manufacture of textile materials * Ceramization of polymer compositions as a method for flame retardancy in materials The important research found in this book will aid scientists and researchers in developing improved engineering materials. The book's coverage of a broad spectrum of key developments can be applied in industrial chemistry, biochemistry, and materials science.

Natural Polymers, Biopolymers, Biomaterials, and Their Composites, Blends, and IPNs (Paperback): Sabu Thomas, Neethu Ninan,... Natural Polymers, Biopolymers, Biomaterials, and Their Composites, Blends, and IPNs (Paperback)
Sabu Thomas, Neethu Ninan, Sneha Mohan, Elizabeth Francis
R2,608 Discovery Miles 26 080 Ships in 12 - 17 working days

Natural Polymers, Biopolymers, Biomaterials, and Their Composites, Blends, and IPNs focuses on the recent advances in natural polymers, biopolymers, biomaterials, and their composites, blends, and IPNs. Biobased polymer blends and composites occupy a unique position in the dynamic world of new biomaterials. The growing need for lubricious coatings and surfaces in medical devices-an outcome of the move from invasive to noninvasive medicines/procedures-is playing a major role in the advancement of biomaterials technology. Natural polymers have attained their cutting-edge technology through various platforms, yet there is a lot of novel information about them that is discussed in the book. This important work covers topics such as chitosan composites for biomedical applications and wastewater treatment, coal biotechnology, biomedical and related applications of second generation polyamidoamines, silk fibers, PEG hydrogels, bamboo fiber reinforced PE composites, jute/polyester composites, magnetic biofoams, and many other interesting aspects of importance to polymer research today.

Chemoinformatics - Advanced Control and Computational Techniques (Paperback): Hossein G. Gilani, Katia G. Samper, Reza... Chemoinformatics - Advanced Control and Computational Techniques (Paperback)
Hossein G. Gilani, Katia G. Samper, Reza Khodaparast Haghi
R2,575 Discovery Miles 25 750 Ships in 12 - 17 working days

Chemoinformatics: Advanced Control and Computational Techniques provides an important understanding of the main computational techniques used for processing chemical and biological structural data. The theoretical background to a number of techniques is introduced. General data analysis techniques and examination of the application techniques in the industy are presented, along with current practices and current research. The book also provides practical experience of commercially available systems and includes small-scale chemoinformatics-related projects. The book offers scope for academics, researchers, and engineering professionals. Chapters range from new methods to novel applications of existing methods and help provide an understanding of the material and/or structural behavior of new and advanced systems. It includes innovative chapters on the growth of educational, scientific, and industrial research activities among chemical engineers. It provides the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and chemical engineering.

Quantum Theory - Density, Condensation, and Bonding (Paperback): Mihai V. Putz Quantum Theory - Density, Condensation, and Bonding (Paperback)
Mihai V. Putz
R2,583 Discovery Miles 25 830 Ships in 12 - 17 working days

Quantum Theory: Density, Condensation, and Bonding presents in a unitary manner the main actual theories of matter, mainly the density function theory (DFT) for fermions, the Bose-Einstein condensation (BEC) for bosons, and chemical bonding as a special realization of the first two so-called mixed fermionic-bosonic states. The book covers the modern and ultimately developed quantum theories involving the key concepts of density, condensation, and bonding. The book compiles, for the first time, the density functional theory with Bose-Einstein condensation and chemical bonding theories in a fresh and novel perspective. The book introduces modern theories of matter structure and explains the nature of chemical bonds under the consecrated and ultimate quantum paradigms of molecular structure. The book is divided into three parts, one for each level of studies: Part I: Primer Density Functional Theory is suitable for undergraduate introductory courses in physics, chemistry, and the natural sciences. Part II: Primer Density Functional Bose-Einstein Condensation Theory would be suitable for graduate- or master-level courses in physics or natural sciences. Part III: Modern Quantum Theories of Chemical Bonding is written for the post-graduate, master or doctorate courses on quantum structure of molecules in chemistry or natural sciences. Thus, this book is organized as a succession of three linked courses, from undergraduate, to graduate, to postgraduate levels in modern quantum theories of many-body systems. It covers three main concepts: density, condensation, and bonding and contains the most celebrated and challenging theories of matter. The book provides a fresh perspective on the quantum theory of structure of physico-chemical systems and will show students at all levels and researchers the way for future elaboration and discoveries toward the unification of the physical and chemical concepts of matter.

QSAR and SPECTRAL-SAR in Computational Ecotoxicology (Paperback): Mihai V. Putz QSAR and SPECTRAL-SAR in Computational Ecotoxicology (Paperback)
Mihai V. Putz
R2,578 Discovery Miles 25 780 Ships in 12 - 17 working days

QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information-knowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio-, eco-, and pharmacologic levels through unitary formulation of the effector-receptor binding degree potential, including the logistic type by employing a computational algebraic quantitative structure-activity relationship (QSAR) model called SPECTRAL-SAR. It aims to minimize the residual recorded activities in the experiments that study the enzymic, ionic liquid, antagonists, and allosteric inhibition interactions. The book covers: The classic QSAR approach The new SPECTRAL-SAR approach How to draw SPECTRAL-SAR maps for predicting ecotoxicological mechanisms for a given series of toxicants and single or multi-species in an open system Biological activity as related to chemical reactivity through associate descriptors This book will be very useful in advanced courses on computational ecotoxicology, drug design and interaction, methods in quantum and computational chemistry, chemical molding, chemical bonding, and others.

Modern Trends in Chemistry and Chemical Engineering (Paperback): A.K. Haghi Modern Trends in Chemistry and Chemical Engineering (Paperback)
A.K. Haghi
R2,570 Discovery Miles 25 700 Ships in 12 - 17 working days

This book covers a collection of topics that reflect the diversity of modern trends in chemistry and chemical engineering. It presents leading-edge research from some of the brightest and most well known scientists from around the world. Contributions range from new methods to novel applications of existing methods to give readers an understanding of the material and/or structural behavior of new and advanced systems. The book offers a broad scope of new research for academics, researchers, and engineering professionals, which has potential for applications in several disciplines of engineering and science. Topics include: Time evolution of the electronegativity and its various scales and the interrelationship between electronegativity and other periodic parameters The starch nanocomposite and nanoparticles and its biomedical applications The lamination of nanofiber at different temperatures Electrospinning of chitosan (CHT) and how it can be improved by the addition of synthetic materials including carbon nanotubes (CNTs) Smart nanofibers based on nylon 6,6/polyethylene glycol blend Nano-biocomposites with chitosan matrix and carbon nanotubes (CNTs) Polypyrrole-coated polyacrylonitrile electrospun nanofibers Semi-empirical AM-1 studies on porphyrin, which include global reactivity parameters, local reactivity parameters, and atomic charge

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