Computational Chemistry Introduction To The Theory And Applications Of Molecular And Quantum Mechanics
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Computational Chemistry
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Author : Errol G. Lewars
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-11-10
Computational Chemistry written by Errol G. Lewars and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-11-10 with Science categories.
This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Computational Chemistry
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Author : Errol G. Lewars
language : en
Publisher:
Release Date : 2024
Computational Chemistry written by Errol G. Lewars and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024 with categories.
Computational Chemistry Introduction To The Theory And Applications Of Molecular And Quantum Mechanics
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Author : Lewars
language : en
Publisher:
Release Date : 2006-07-01
Computational Chemistry Introduction To The Theory And Applications Of Molecular And Quantum Mechanics written by Lewars and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-07-01 with categories.
Xlv Mexican Conference On Biomedical Engineering
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Author : Citlalli Jessica Trujillo-Romero
language : en
Publisher: Springer Nature
Release Date : 2022-10-23
Xlv Mexican Conference On Biomedical Engineering written by Citlalli Jessica Trujillo-Romero and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-23 with Technology & Engineering categories.
This book reports on fundamental research, cutting-edge technologies and industrially-relevant applications in biomedical engineering. It covers methods for analysis, modeling and simulation of biological systems, reporting on the development and design of advanced biosensors, nanoparticles and wearable devices. It covers applications in disease monitoring and therapy, tissue engineering, sport and rehabilitation, and telehealth. It also reports on engineering methods for improving and monitoring medical service, and on advanced robotic applications. Gathering the proceedings of the XLV Congreso Nacional de Ingeniería Biomédica (CNIB2022), organised by the Mexican Society of Biomedical Engineering, this book offers a timely snapshot on technologies and methods in bioengineering, and on challenges related to their practical implementation in the health sector.
Understanding The Basics Of Qsar For Applications In Pharmaceutical Sciences And Risk Assessment
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Author : Kunal Roy
language : en
Publisher: Academic Press
Release Date : 2015-03-03
Understanding The Basics Of Qsar For Applications In Pharmaceutical Sciences And Risk Assessment written by Kunal Roy and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-03-03 with Medical categories.
Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. - Includes numerous practical examples related to QSAR methods and applications - Follows the Organization for Economic Co-operation and Development principles for QSAR model development - Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools
Chemical Modelling
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Author : Michael Springborg
language : en
Publisher: Royal Society of Chemistry
Release Date : 2016-11-01
Chemical Modelling written by Michael Springborg and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-01 with Science categories.
Chemical modelling covers a wide range of disciplines and with the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in this field. This book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, its coverage includes materials for energy storage, nanoflakes, chemical modelling of fluidics near surfaces and organic solar cells.
Handbook Of Fluoropolymer Science And Technology
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Author : Dennis W. Smith
language : en
Publisher: John Wiley & Sons
Release Date : 2014-05-05
Handbook Of Fluoropolymer Science And Technology written by Dennis W. Smith and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-05-05 with Science categories.
Handbook of Fluoropolymer Science and Technology A comprehensive handbook on fluoropolymer synthesis, characterization, and processing Fluoropolymers, one of the more durable classes of polymer materials, are known to enable novel technologies as a result of their remarkable properties. As key components in industry applications, fluoropolymers have established commercial interest and scientists have discovered more efficient approaches of handling them. This book reviews up-to-date fluoropolymer platforms as well as recently discovered methods for the preparation of fluorinated materials. It focuses on synthesis, characterization, and processing aspects, providing guidelines for practicing scientists and engineers. In addition, the book covers: Concepts and studies from leading international laboratories, including academia, government, and industrial institutions Emerging technologies and applications in energy, optics, space exploration, fuel cells, microelectronics, gas separation membranes, biomedical instrumentation, and more Current environmental concerns associated with fluoropolymers, relevant regulations, and growth opportunities Overall, the chapters provide coverage of chemical methods and help the reader further understand how fluoropolymer research provides solutions for material challenges. The concepts in this book also inspire professionals to identify new markets and funding sources for fluoropolymer research and development.
Essays In The Philosophy Of Chemistry
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Author : Eric Scerri
language : en
Publisher: Oxford University Press
Release Date : 2016-04-10
Essays In The Philosophy Of Chemistry written by Eric Scerri and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-10 with Science categories.
The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new discipline, Eric Scerri and Grant Fisher's "Essays in the Philosophy of Chemistry" is a timely and definitive guide to all current thought in this field. This edited volume will serve to map out the distinctive features of the field and its connections to the philosophies of the natural sciences and general philosophy of science more broadly. It will be a reference for students and professional alike. Both the philosophy of chemistry and philosophies of scientific practice alike reflect the splitting of analytical and continental scholastic traditions, and some philosophers are turning for inspiration from the familiar resources of analytical philosophy to influences from the continental tradition and pragmatism. While philosophy of chemistry is practiced very much within the familiar analytical tradition, it is also capable of trail-blazing new philosophical approaches. In such a way, the seemingly disparate disciplines such as the "hard sciences" and philosophy become much more linked.
Molecular Quantum Mechanics
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Author : Peter W. Atkins
language : en
Publisher: Oxford University Press
Release Date : 2011
Molecular Quantum Mechanics written by Peter W. Atkins and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Science categories.
This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.
Functional Materials
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Author : Mario Leclerc
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2014-10-10
Functional Materials written by Mario Leclerc and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-10-10 with Technology & Engineering categories.
"Functional Materials textbook is not simply a review of the vast body of literature of the recent years, as it holds the focus upon various aspects of application. Moreover, it selects only a few topics in favor of a solid and thorough treatment of the relevant aspects. This book comes in a good time, when a large body of academic literature has been accumulated and is waiting for a critical inspection in the light of the real demands of application." Professor Gerhard Wegner, Max-Planck Institute for Polymer Research, Mainz, Germany The chapters cover three important fields in the development of functional materials: energy, environment, and biomedical applications. These topics are explained and discussed from both an experimental and a theoretical perspective. Functional organic and inorganic materials are at the center of most technological breakthroughs. Therefore, the understanding of material properties is fundamental to the development of novel functionalities and applications.