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The Quantum In Chemistry

Author: Roger Grinter
Publisher: John Wiley & Sons
ISBN: 0470017627
Size: 53.59 MB
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This book explores the way in which quantum theory has become central to our understanding of the behaviour of atoms and molecules. It looks at the way in which this underlies so many of the experimental measurements we make, how we interpret those experiments and the language which we use to describe our results. It attempts to provide an account of the quantum theory and some of its applications to chemistry. This book is for researchers working on experimental aspects of chemistry and the allied sciences at all levels, from advanced undergraduates to experienced research project leaders, wishing to improve, by self-study or in small research-orientated groups, their understanding of the ways in which quantum mechanics can be applied to their problems. The book also aims to provide useful background material for teachers of quantum mechanics courses and their students.

Problems In Structural Inorganic Chemistry

Author: Wai-Kee Li
Publisher: OUP Oxford
ISBN: 0191633054
Size: 76.50 MB
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This book consists of over 300 problems (and their solutions) in structural inorganic chemistry at the senior undergraduate and beginning graduate level. The topics covered comprise Atomic and Molecular Electronic States, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, and Crystal Structure. The central theme running through these topics is symmetry, molecular or crystalline. The problems collected in this volume originate in examination papers and take-home assignments that have been part of the teaching of the book's two senior authors' at The Chinese University of Hong Kong over the past four decades. The authors' courses include Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, X-Ray Crystallography, etc. The problems have been tested by generations of students taking these courses.

Molecular Materials

Author: Duncan W. Bruce
Publisher: John Wiley & Sons
ISBN: 9781119972952
Size: 27.45 MB
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“... the book does an excellent job of putting together several different classes of materials. Many common points emerge, and the book may facilitate the development of hybrids in which the qualities of the “parents” are enhanced.” –Angew. Chem. Int. Ed. 2011 With applications in optoelectronics and photonics, quantum information processing, nanotechnology and data storage, molecular materials enrich our daily lives in countless ways. These materials have properties that depend on their exact structure, the degree of order in the way the molecules are aligned and their crystalline nature. Small, delicate changes in molecular structure can totally alter the properties of the material in bulk. There has been increasing emphasis on functional metal complexes that demonstrate a wide range of physical phenomena. Molecular Materials represents the diversity of the area, encapsulating magnetic, optical and electrical properties, with chapters on: Metal-Based Quadratic Nonlinear Optical Materials Physical Properties of Metallomesogens Molecular Magnetic Materials Molecular Inorganic Conductors and Superconductors Molecular Nanomagnets Structured to include a clear introduction, a discussion of the basic concepts and up-to-date coverage of key aspects, each chapter provides a detailed review which conveys the excitement of work in that field. Additional volumes in the Inorganic Materials Series: Low-Dimensional Solids | Molecular Materials | Porous Materials | Energy Materials

Gold Chemistry

Author: Mohr
Publisher: John Wiley & Sons
ISBN: 3527626735
Size: 19.73 MB
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Written by world-class authors, this most recent major book on the topic highlights new and current trends as well as future directions. It is comprehensive in its scope, covering all aspects of gold chemistry -- from homogeneous to heterogeneous catalysis, from supramolecular assemblies to sensors and medicinal applications. The result is an invaluable work for both organic and inorganic chemists working in universities and industry, as well as material scientists.

Neither Physics Nor Chemistry

Author: Kōstas Gavroglou
Publisher: MIT Press
ISBN: 0262016184
Size: 75.87 MB
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The evolution of a discipline at the intersection of physics, chemistry, and mathematics.

Density Functional Theory In Quantum Chemistry

Author: Takao Tsuneda
Publisher: Springer Science & Business Media
ISBN: 4431548254
Size: 14.54 MB
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In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.

World Views And Scientific Discipline Formation

Author: W.R. Woodward
Publisher: Springer Science & Business Media
ISBN: 9401131643
Size: 41.84 MB
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The various efforts to develop a Marxist philosophy of science in the one time 'socialist' countries were casualties of the Cold War. Even those who were in no way Marxists, and those who were undogmatic in their Marxisms, now confront a new world. All the more harsh is it for those who worked within the framework imposed upon professional philosophy by the official ideology. Here in this book, we are concerned with some 31 colleagues from the late German Democratic Republic, representative in their scholarship of the achievements of a curiously creative while dismayingly repressive period. The literature published in the GDR was blossoming, certainly in the final decade, but it developed within a totalitarian regime where personal careers either advanced or faltered through the private protection or denunciation of mentors. We will never know how many good minds did not enter the field of philosophy in the first place due to their prudent judgments that there was a virtual requirement that the candidate join the Socialist Unity (i.e. Communist) Party. Among those who started careers and were sidetracked, the record is now beginning to be revealed; and for the rest, the price of 'doing philosophy' was mostly silence in the face of harassments the likes of which make academic politics in the West seem child's play.

Books In Print

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Books in print is the major source of information on books currently published and in print in the United States. The database provides the record of forthcoming books, books in-print, and books out-of-print.

Atom Molecule Collision Theory

Author: Richard Barry Bernstein
Publisher: Springer Science & Business Media
ISBN: 1461329132
Size: 74.71 MB
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The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experi mental and theoretical. This is probably because elastic, inelastic, and reactive intermolecular collisions are of central importance in many of the fundamental processes of chemistry and physics. One small area of this field, namely atom-molecule collisions, is now beginning to be "understood" from first principles. Although the more general subject of the collisions of polyatomic molecules is of great im portance and intrinsic interest, it is still too complex from the viewpoint of theoretical understanding. However, for atoms and simple molecules the essential theory is well developed, and computational methods are sufficiently advanced that calculations can now be favorably compared with experimental results. This "coming together" of the subject (and, incidentally, of physicists and chemists !), though still in an early stage, signals that the time is ripe for an appraisal and review of the theoretical basis of atom-molecule collisions. It is especially important for the experimentalist in the field to have a working knowledge of the theory and computational methods required to describe the experimentally observable behavior of the system. By now many of the alternative theoretical approaches and computational procedures have been tested and intercompared. More-or-Iess optimal methods for dealing with each aspect are emerging. In many cases working equations, even schematic algorithms, have been developed, with assumptions and caveats delineated.