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Theoretical Models and Experimental Approaches in Physical Chemistry

Theoretical Models and Experimental Approaches in Physical Chemistry
Author: A. K. Haghi
Publisher: CRC Press
Total Pages: 422
Release: 2018-10-01
Genre: Medical
ISBN: 1351592661

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This new volume presents an up-to-date review of modern materials and physical chemistry concepts, issues, and recent advances in the field. It presents a modern theoretical and experimental approach in applied physical chemistry. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior. With chapters from distinguished scientists and engineers from key institutions worldwide, the volume provides understanding through numerous examples and practical applications drawn from research and development chemistry. It emphasizes the intersection of chemistry, math, physics, and the resulting applications across many disciplines of science and explores applied physical chemistry principles in specific areas. At the same time, each topic is framed within the context of a broader more interdisciplinary approach, demonstrating its relationship and interconnectedness to other areas. This new book fills a gap within modeling texts, focusing on applications across a broad range of disciplines, and presents information on many important problems in physical chemistry. These investigations are accompanied by real-life applications in practice.


Modeling of Atmospheric Chemistry

Modeling of Atmospheric Chemistry
Author: Guy P. Brasseur
Publisher: Cambridge University Press
Total Pages: 631
Release: 2017-06-19
Genre: Science
ISBN: 1108210953

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Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.


Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry

Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry
Author: Darling Models
Publisher: McGraw-Hill Education
Total Pages: 0
Release: 2000-04-07
Genre: Science
ISBN: 9780964883710

Download Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry Book in PDF, ePub and Kindle

Molecular models are as vital a tool for the study of chemistry as calculators are for the study of mathematics. Molecular Visions models may be assembled in infinite combinations enabling the user to construct not only familiar configurations but also undiscovered possibilities. Models are intended to inspire the imagination, stimulate thought, and assist the visualization process. They present the user with a solid form of an abstract object that can otherwise only be visualized by the chemist. While chemistry textbooks use letters and graphics to describe molecules, molecular models make them "real". MOLECULAR VISIONS Organic Kit #1 is in a green plastic box, 9"x4"x2"


Chemistry Through Models

Chemistry Through Models
Author: Colin J. Suckling
Publisher: Cambridge University Press
Total Pages: 336
Release: 1980-07-24
Genre: Science
ISBN: 9780521299329

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The use of modelling techniques in the analysis and solution of problems in science and other fields of knowledge is widespread and has often come under intensive scrutiny. This 1978 book concerns the use of models in learning, understanding, and practising chemistry. It will therefore be of interest to chemists, biochemists and chemical engineers in research and industry, and to many students of chemical science. The chemist uses models in his work not only in the material sense, for example molecular models, but also in his patterns of thought, coming to grips with chemistry and its applications through the manipulation of models. The present work outlines the scope of modelling and, from a discussion of the general principles involved, develops themes relevant to both academic and industrial scientists.


Foundations for Teaching Chemistry

Foundations for Teaching Chemistry
Author: Keith S. Taber
Publisher: Routledge
Total Pages: 175
Release: 2019-12-05
Genre: Education
ISBN: 135123384X

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Chemistry is a subject that has the power to engage and enthuse students but also to mystify and confound them. Effective chemistry teaching requires a strong foundation of subject knowledge and the ability to transform this into teachable content which is meaningful for students. Drawing on pedagogical principles and research into the difficulties that many students have when studying chemical concepts, this essential text presents the core ideas of chemistry to support new and trainee chemistry teachers, including non-specialists. The book focuses on the foundational ideas that are fundamental to and link topics across the discipline of chemistry and considers how these often complex notions can be effectively presented to students without compromising on scientific authenticity. Chapters cover: the nature of chemistry as a science the chemistry triplet substances and purity in chemistry the periodic table energy in chemistry and chemical bonding contextualising and integrating chemical knowledge Whilst there are a good many books describing chemistry and many others that offer general pedagogic guidance on teaching science, Foundations for Teaching Chemistry provides accounts of core chemical topics from a teaching perspective and offers new and experienced teachers support in developing their own ‘chemical knowledge for teaching’.


Experiments, Models, Paper Tools

Experiments, Models, Paper Tools
Author: Ursula Klein
Publisher: Stanford University Press
Total Pages: 332
Release: 2003
Genre: Science
ISBN: 9780804743594

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In the early nineteenth century, chemistry emerged in Europe as a truly experimental discipline. What set this process in motion, and how did it evolve? Experimentalization in chemistry was driven by a seemingly innocuous tool: the sign system of chemical formulas invented by the Swedish chemist Jacob Berzelius. By tracing the history of this “paper tool,” the author reveals how chemistry quickly lost its orientation to natural history and became a major productive force in industrial society. These formulas were not merely a convenient shorthand, but productive tools for creating order amid the chaos of early nineteenth-century organic chemistry. With these formulas, chemists could create a multifaceted world on paper, which they then correlated with experiments and the traces produced in test tubes and flasks. The author’s semiotic approach to the formulas allows her to show in detail how their particular semantic and representational qualities made them especially useful as paper tools for productive application.


Essentials of Computational Chemistry

Essentials of Computational Chemistry
Author: Christopher J. Cramer
Publisher: John Wiley & Sons
Total Pages: 624
Release: 2013-04-29
Genre: Science
ISBN: 1118712277

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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
Publisher: Springer Science & Business Media
Total Pages: 405
Release: 2008-05-20
Genre: Science
ISBN: 3540773045

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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 (http://www.amrita.edu/cen/ccmm) support the students and lecturers.


Applied Theoretical Organic Chemistry

Applied Theoretical Organic Chemistry
Author: Tantillo Dean J
Publisher: World Scientific
Total Pages: 624
Release: 2018-03-07
Genre: Science
ISBN: 1786344106

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This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice. Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Contents: Modeling Organic Reactions — General Approaches, Caveats, and Concerns (Stephanie R Hare, Brandi M Hudson and Dean J Tantillo)Overview of Computational Methods for Organic Chemists (Edyta M Greer and Kitae Kwon)Brief History of Applied Theoretical Organic Chemistry (Steven M Bachrach)Solvation (Carlos Silva Lopez and Olalla Nieto Faza)Conformational Searching for Complex, Flexible Molecules (Alexander C Brueckner, O Maduka Ogba, Kevin M Snyder, H Camille Richardson and Paul Ha-Yeon Cheong)NMR Prediction (Kelvin E Jackson and Robert S Paton)Energy Decomposition Analysis and Related Methods (Israel Fernández)Systems with Extensive Delocalization (L Zoppi and K K Baldridge)Modern Treatments of Aromaticity (Judy I-Chia Wu)Weak Intermolecular Interactions (Rajat Maji and Steven E Wheeler)Predicting Reaction Pathways from Reactants (Romain Ramozzi, W M C Sameera and Keiji Morokuma)Unusual Potential Energy Surfaces and Nonstatistical Dynamic Effects (Charles Doubleday)The Distortion/Interaction Model for Analysis of Activation Energies of Organic Reactions (K N Houk, Fang Liu, Yun-Fang Yang and Xin Hong)Spreadsheet-Based Computational Predictions of Isotope Effects (O Maduka Ogba, John D Thoburn and Daniel J O'Leary)Stereoelectronic Effects: Analysis by Computational and Theoretical Methods (Gabriel dos Passos Gomes and Igor Alabugin)pKa Prediction (Yijie Niu and Jeehiun K Lee)Issues Particular to Organometallic Reactions (Gang Lu, Huiling Shao, Humair Omer and Peng Liu)Computationally Modeling Nonadiabatic Dynamics and Surface Crossings in Organic Photoreactions (Arthur Winter)Challenges in Predicting Stereoselectivity (Elizabeth H Krenske) Readership: Practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Keywords: Organic Chemistry;Theoretical Chemistry;Stereoselectivity;NMR Prediction;pKa Prediction;Organic PhotoreactionsReview: Key Features: A particular strength is the mix of theoretical background, informative examples and practical advice providedChapters are authored by many of world leaders in the field of applied theoretical chemistry


Machine Learning in Chemistry

Machine Learning in Chemistry
Author: Jon Paul Janet
Publisher: American Chemical Society
Total Pages: 189
Release: 2020-05-28
Genre: Science
ISBN: 0841299005

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Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important