Chemistry From First Principles

Author : Jan C. A. Boeyens
Publisher : Springer Science & Business Media
ISBN 13 : 1402085451
Total Pages : 332 pages
Book Rating : 4.51/5 ( download)

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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.

Author : Raymond Bedell Brownlee
Publisher :
ISBN 13 :
Total Pages : 448 pages
Book Rating : 4.79/5 ( download)

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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:

Author : Cristiana Di Valentin
Publisher : Springer
ISBN 13 : 3642550681
Total Pages : 397 pages
Book Rating : 4.83/5 ( download)

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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 397 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.

Author : Robert A. Evarestov
Publisher : Springer Science & Business Media
ISBN 13 : 3540487484
Total Pages : 559 pages
Book Rating : 4.87/5 ( download)

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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 559 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.

Author : Jan C.A. Boeyens
Publisher : Elsevier
ISBN 13 : 9780080519043
Total Pages : 570 pages
Book Rating : 4.40/5 ( download)

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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.

Author : Jan C. A. Boeyens
Publisher : Springer Science & Business Media
ISBN 13 : 140208546X
Total Pages : 332 pages
Book Rating : 4.68/5 ( download)

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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 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.

Author : Donald D. Fitts
Publisher : Cambridge University Press
ISBN 13 : 0521651247
Total Pages : 366 pages
Book Rating : 4.40/5 ( download)

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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.

Author : V.P. Gupta
Publisher : Academic Press
ISBN 13 : 0128035013
Total Pages : 480 pages
Book Rating : 4.16/5 ( download)

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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 480 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

Author : Donald R. Franceschetti
Publisher : Salem Press
ISBN 13 : 9781619255012
Total Pages : 0 pages
Book Rating : 4.14/5 ( download)

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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.

Author : Harald Günther
Publisher : John Wiley & Sons
ISBN 13 : 3527674772
Total Pages : 842 pages
Book Rating : 4.70/5 ( download)

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Download or read book NMR Spectroscopy written by Harald Günther and published by John Wiley & Sons. This book was released on 2013-12-13 with total page 842 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful and widely used techniques in chemical research for investigating structures and dynamics of molecules. Advanced methods can even be utilized for structure determinations of biopolymers, for example proteins or nucleic acids. NMR is also used in medicine for magnetic resonance imaging (MRI). The method is based on spectral lines of different atomic nuclei that are excited when a strong magnetic field and a radiofrequency transmitter are applied. The method is very sensitive to the features of molecular structure because also the neighboring atoms influence the signals from individual nuclei and this is important for determining the 3D-structure of molecules. This new edition of the popular classic has a clear style and a highly practical, mostly non-mathematical approach. Many examples are taken from organic and organometallic chemistry, making this book an invaluable guide to undergraduate and graduate students of organic chemistry, biochemistry, spectroscopy or physical chemistry, and to researchers using this well-established and extremely important technique. Problems and solutions are included.