Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
A complete and updated catalogue of impact craters and structures in South America from 2014 is presented here. Approximately eighty proven, suspected and disproven structures have been identified by several sources in this continent. All the impact sites of this large continent have been exhaustively reviewed: the proved ones, the possible ones and some very doubtful. Many sites remain without a clear geological "in situ" confirmation and some of them could be even rejected. Argentina and Brazil are leading the list containing almost everything detected. In Bolivia, Chile, Colombia, Guyana, Paraguay, Perú, Uruguay and Venezuela only a few were observed. Only Ecuador is waiting for new discoveries. So far, the largest well stated impact site is still the Araguainha structure in Brazil with its 40 kilometers in diameter. However, two possible impact structures are larger than Araguainha: Malvinas, (with 250 kilometers in diameter) and Vichada in Colombia, (50 kilometers). This study also reports the existence of some Tertiary-Quaternary glassy impactite layers: the "escorias" and "tierras cocidas" of the pampas in Argentina.
This volume presents 10 reviews contributed by eminent researchers around the world on chitosan based materials. The introductory chapters present information on general characteristics of chitosan and various types of materials which are based on it such as nanofibers, nanoparticles, nanocapsules and other chemically modified chitosans. This is followed by an explanation of chitosan characterization and extraction techniques. Concluding chapters describe the applications of chitosan products in water treatment, drug delivery, edible films and pervaporation membranes. Readers will therefore gain an understanding about chitosan and materials derived from this polymer and their practical applications. The volume serves as a simple reference for chemical engineering students and professionals interested in the basic and applied chemistry of chitosan and chitosan-derived products.
This book, written accessibly for both biologists and linguists, argues that language is not as exceptional a human trait as some linguists believe it to be. It is rather, according to the authors, just the human version of a fairly common and conservative organic system, the Central Computational Complex.
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