Chemistry from First Principles

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Publisher : Springer Science & Business Media
ISBN 13 : 1402085451
Total Pages : 332 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Chemistry from First Principles by : Jan C. A. Boeyens

Download or read book Chemistry from First Principles written by Jan C. A. Boeyens and published by Springer Science & Business Media. This book was released on 2008-09-11 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Chemistry from First Principles" examines the appearance of matter in its most primitive form. It features the empirical rules of chemical affinity that regulate the synthesis and properties of molecular matter, analyzes the compatibility of the theories of chemistry with the quantum and relativity theories of physics, formulates a consistent theory based on clear physical pictures and manageable mathematics to account for chemical concepts such as the structure and stability of atoms and molecules. This text also explains the self-similarity between space-time, nuclear structure, covalent assembly, biological growth, planetary systems, and galactic conformation.

First Principles of Chemistry

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Publisher :
ISBN 13 :
Total Pages : 448 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis First Principles of Chemistry by : Raymond Bedell Brownlee

Download or read book First Principles of Chemistry written by Raymond Bedell Brownlee and published by . This book was released on 1907 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt:

First Principles Approaches to Spectroscopic Properties of Complex Materials

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Publisher : Springer
ISBN 13 : 3642550681
Total Pages : 392 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis First Principles Approaches to Spectroscopic Properties of Complex Materials by : Cristiana Di Valentin

Download or read book First Principles Approaches to Spectroscopic Properties of Complex Materials written by Cristiana Di Valentin and published by Springer. This book was released on 2014-09-26 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Quantum Chemistry of Solids

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Publisher : Springer Science & Business Media
ISBN 13 : 3540487484
Total Pages : 560 pages
Book Rating : 4.5/5 (44 download)

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Book Synopsis Quantum Chemistry of Solids by : Robert A. Evarestov

Download or read book Quantum Chemistry of Solids written by Robert A. Evarestov and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties.

Chemistry from First Principles

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 140208546X
Total Pages : 321 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Chemistry from First Principles by : Jan C. A. Boeyens

Download or read book Chemistry from First Principles written by Jan C. A. Boeyens and published by Springer Science & Business Media. This book was released on 2008-09-18 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Chemistry from First Principles" examines the appearance of matter in its most primitive form. It features the empirical rules of chemical affinity that regulate the synthesis and properties of molecular matter, analyzes the compatibility of the theories of chemistry with the quantum and relativity theories of physics, formulates a consistent theory based on clear physical pictures and manageable mathematics to account for chemical concepts such as the structure and stability of atoms and molecules. This text also explains the self-similarity between space-time, nuclear structure, covalent assembly, biological growth, planetary systems, and galactic conformation.

The Theories of Chemistry

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Publisher : Elsevier
ISBN 13 : 9780080519043
Total Pages : 570 pages
Book Rating : 4.5/5 (19 download)

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Book Synopsis The Theories of Chemistry by : Jan C.A. Boeyens

Download or read book The Theories of Chemistry written by Jan C.A. Boeyens and published by Elsevier. This book was released on 2003-11-24 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theories of Chemistry reviews the theories that underpin chemistry, but yet are not traditionally recognized as such, being normally considered as part of physics. Based on the argument that the needs of chemistry are distinctive, a mathematical structure of topics such as quantum mechanics, relativity theory, thermodynamics and statistical mechanics, suiting the needs of chemistry, is outlined. The subject matter is arranged in a sequence that reveals the foundations of chemistry. Starting from the mathematical basis, the sequence runs through the general concepts (mechanics and wave formalism) and the elementary building blocks, to molecules and macrosystems. The book is the product of the author's reading of original literature rather than of standard texts. It differs from what is conventionally emphasized because of the different approach that it argues for the recognition of chemistry as an emergent discipline, ultimately based on the properties and structure of space and time. Hence the emphasis on otherwise unexpected topics such as quaternions, lie groups, polarized light, compressed atoms, rydberg atoms, solitons, molecular hydrogen, and phase transitions, amongst others. The topic is the understanding of chemistry from first principles. The book is self-contained and can be used without reference to other sources. - All chemisty theories are covered in this one volume. - The book is self-contained and can be used without reference to other sources. - Many topics, routinely referred to in advanced chemistry texts, without making them accessible to the non-specialist, are brought together.

Basic Principles of Inorganic Chemistry

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Publisher : Royal Society of Chemistry
ISBN 13 : 9780854045747
Total Pages : 172 pages
Book Rating : 4.0/5 (457 download)

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Book Synopsis Basic Principles of Inorganic Chemistry by : Brian Murphy

Download or read book Basic Principles of Inorganic Chemistry written by Brian Murphy and published by Royal Society of Chemistry. This book was released on 1998 with total page 172 pages. Available in PDF, EPUB and Kindle. Book excerpt: General chemistry textbooks are usually lengthy and present chemistry to the student as an unconnected list of facts. In inorganic chemistry, emphasis should be placed on the connections between valence shell electron configuration and the physical and chemical properties of the element. Basic Principles of Inorganic Chemistry: Making the Connections is a short, concise book that emphasises these connections, in particular the chemistry of the Main Group compounds. With reference to chemical properties, Lewis Structures, stoichiometry and spider diagrams, students will be able to predict or calculate the chemistry of simple polyatomic compounds from the valence shell configuration and will no longer be required to memorise vast amounts of factual chemistry. This book is ideal for students taking chemistry as a subsidiary subject as well as honours degree students.

Principles and Applications of Quantum Chemistry

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Publisher : Academic Press
ISBN 13 : 0128035013
Total Pages : 478 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Principles and Applications of Quantum Chemistry by : V.P. Gupta

Download or read book Principles and Applications of Quantum Chemistry written by V.P. Gupta and published by Academic Press. This book was released on 2015-10-15 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools

Principles of Quantum Mechanics

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Publisher : Cambridge University Press
ISBN 13 : 0521651247
Total Pages : 366 pages
Book Rating : 4.5/5 (216 download)

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Book Synopsis Principles of Quantum Mechanics by : Donald D. Fitts

Download or read book Principles of Quantum Mechanics written by Donald D. Fitts and published by Cambridge University Press. This book was released on 1999-08-26 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents a rigorous mathematical account of the principles of quantum mechanics, in particular as applied to chemistry and chemical physics. Applications are used as illustrations of the basic theory. The first two chapters serve as an introduction to quantum theory, although it is assumed that the reader has been exposed to elementary quantum mechanics as part of an undergraduate physical chemistry or atomic physics course. Following a discussion of wave motion leading to Schrödinger's wave mechanics, the postulates of quantum mechanics are presented along with essential mathematical concepts and techniques. The postulates are rigorously applied to the harmonic oscillator, angular momentum, the hydrogen atom, the variation method, perturbation theory, and nuclear motion. Modern theoretical concepts such as hermitian operators, Hilbert space, Dirac notation, and ladder operators are introduced and used throughout. This text is appropriate for beginning graduate students in chemistry, chemical physics, molecular physics and materials science.

Principles of Inorganic Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1118859103
Total Pages : 761 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Principles of Inorganic Chemistry by : Brian W. Pfennig

Download or read book Principles of Inorganic Chemistry written by Brian W. Pfennig and published by John Wiley & Sons. This book was released on 2015-03-30 with total page 761 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aimed at senior undergraduates and first-year graduate students, this book offers a principles-based approach to inorganic chemistry that, unlike other texts, uses chemical applications of group theory and molecular orbital theory throughout as an underlying framework. This highly physical approach allows students to derive the greatest benefit of topics such as molecular orbital acid-base theory, band theory of solids, and inorganic photochemistry, to name a few. Takes a principles-based, group and molecular orbital theory approach to inorganic chemistry The first inorganic chemistry textbook to provide a thorough treatment of group theory, a topic usually relegated to only one or two chapters of texts, giving it only a cursory overview Covers atomic and molecular term symbols, symmetry coordinates in vibrational spectroscopy using the projection operator method, polyatomic MO theory, band theory, and Tanabe-Sugano diagrams Includes a heavy dose of group theory in the primary inorganic textbook, most of the pedagogical benefits of integration and reinforcement of this material in the treatment of other topics, such as frontier MO acid--base theory, band theory of solids, inorganic photochemistry, the Jahn-Teller effect, and Wade's rules are fully realized Very physical in nature compare to other textbooks in the field, taking the time to go through mathematical derivations and to compare and contrast different theories of bonding in order to allow for a more rigorous treatment of their application to molecular structure, bonding, and spectroscopy Informal and engaging writing style; worked examples throughout the text; unanswered problems in every chapter; contains a generous use of informative, colorful illustrations

Principles of Chemistry

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Publisher : Salem Press
ISBN 13 : 9781619255012
Total Pages : 0 pages
Book Rating : 4.2/5 (55 download)

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Book Synopsis Principles of Chemistry by : Donald R. Franceschetti

Download or read book Principles of Chemistry written by Donald R. Franceschetti and published by Salem Press. This book was released on 2016 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides students and researchers with an easy-to-understand introduction to the fundamentals of chemistry, from elements and molecules to chemical reactions and properties of matter.

First principles of chemistry

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Publisher :
ISBN 13 :
Total Pages : 774 pages
Book Rating : 4.:/5 (922 download)

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Book Synopsis First principles of chemistry by :

Download or read book First principles of chemistry written by and published by . This book was released on with total page 774 pages. Available in PDF, EPUB and Kindle. Book excerpt:

First-Principles Prediction of Structures and Properties in Crystals

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Publisher : MDPI
ISBN 13 : 3039216708
Total Pages : 128 pages
Book Rating : 4.0/5 (392 download)

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Book Synopsis First-Principles Prediction of Structures and Properties in Crystals by : Dominik Kurzydlowsk

Download or read book First-Principles Prediction of Structures and Properties in Crystals written by Dominik Kurzydlowsk and published by MDPI. This book was released on 2019-10-25 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.

Principles of Chemistry

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Publisher : W W Norton & Company Incorporated
ISBN 13 : 9780393972887
Total Pages : 1616 pages
Book Rating : 4.9/5 (728 download)

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Book Synopsis Principles of Chemistry by : Michael Munowitz

Download or read book Principles of Chemistry written by Michael Munowitz and published by W W Norton & Company Incorporated. This book was released on 2000 with total page 1616 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Can Munowitz write or what!" exclaimed one advance reviewer of this extraordinary new text.

First Principles of Chemistry

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Publisher :
ISBN 13 :
Total Pages : 492 pages
Book Rating : 4.:/5 (2 download)

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Book Synopsis First Principles of Chemistry by : Benjamin Silliman

Download or read book First Principles of Chemistry written by Benjamin Silliman and published by . This book was released on 1848 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt:

First Principles of Chemistry

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Publisher :
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.A/5 ( download)

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Book Synopsis First Principles of Chemistry by : James Renwick

Download or read book First Principles of Chemistry written by James Renwick and published by . This book was released on 1845 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemistry

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Publisher :
ISBN 13 : 9780321413703
Total Pages : 1233 pages
Book Rating : 4.4/5 (137 download)

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Book Synopsis Chemistry by : Bruce Averill

Download or read book Chemistry written by Bruce Averill and published by . This book was released on 2007 with total page 1233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Emphasises on contemporary applications and an intuitive problem-solving approach that helps students discover the exciting potential of chemical science. This book incorporates fresh applications from the three major areas of modern research: materials, environmental chemistry, and biological science.