Tag: Molecules

Electron Correlations in Solids, Molecules, and Atoms


Free Download Electron Correlations in Solids, Molecules, and Atoms by Jozef T. Devreese, Fons Brosens
English | PDF | 1983 | 439 Pages | ISBN : 0306410273 | 45.3 MB
From July 20 till 31, 1981, the Advanced Study Institute on "Electron Correlations in Solids, Molecules and Atoms", sponsored by NATO, was held at the University of Antwerpen (U.I.A.), in the Conference Center Corsendonk. In the last few years, the problem of many-electron correlations has gained renewed attention, due to recent experimental and theoretic al developments. From the theoretical point of view, more sophisticated treatments of the homogeneous electron gas model evolved, including dynamical aspects of the electron correlation in the dielectric response. Furthermore, the homogeneous electron gas, which served as a model for simple metals, was extended to include spin- and charge-density waves and phasons. The concept of elementary excitations too was introduced not only in perfectly ordered metallic crystals, but also in magnetic alloys, in liquid metals and alloys, in semiconductors, and even in molecules and atoms. Fairly accurate quantitative calculations of these effects recently became possible, ranging from plasmon frequencies in atoms, over dielectric response of semiconduc tors and resistivity in magnetic alloys to electron-hole liquids and their phase separation. The recent technological evolution allowed for more accurate measurements in previously unaccessible domains, e.g. X-ray scatter ing and fast electron energy loss at large wavevector. Moreover, these new developments opened new perspectives in physics, accompany ing or even introducing the new concepts which also evolved in the theory.

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Bioactive Molecules in Plant Defense Saponins


Free Download Mostafa Abdelrahman, Sudisha Jogaiah, "Bioactive Molecules in Plant Defense: Saponins"
English | 2020 | pages: 105 | ISBN: 3030611515, 3030611485 | PDF | 2,6 mb
This book presents a broad perspective on saponins as important natural products with a key role in plant defense. The presence of saponins has been reported in several plant species, and many types of saponins have been found to exhibit significant antifungal activities. In addition to their role in plant defense, saponins are of increasing interest for drug research, as they are active ingredients in several traditional medicines and hold potentially valuable pharmacological properties.

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Mesomolecules From Molecules to Materials


Free Download Mesomolecules: From Molecules to Materials By G. David Mendenhall (auth.), G. David Mendenhall, Arthur Greenberg, Joel F. Liebman (eds.)
1995 | 199 Pages | ISBN: 0412038110 | PDF | 21 MB
The title of this volume implies a progression of sorts from species of molecular size to a product described on the basis of continuum prop erties. The difference in approach from the standpoint of molecular be havior, on the one hand-more the forte of chemists-and from the standpoint of large-scale properties, on the other-more the province of chemical engineers and materials scientists-represents a severe cultural divide, but one with much potential for creative input from both sides. Chapter 1 of this volume attempts a broad survey of trends toward the synthesis of large, well-defined molecular systems with interesting physical, chemical, or material properties. Review articles with more de tailed treatments are emphasized. In Chapter 2, Newkome and Moore field summarize work on synthesis of /I cascade" molecules. Next, Denti, Campagna, and Balzani describe the synthesis of assemblies with con nected metal-containing chromophore units which transmit electrons or electronic energy in defined ways. In Chapter 4 Wuest describes the con struction of hydrogen-bonded organic networks, and in Chapter 5 Michl defines a molecular-level construction set. Finally, Jaszczak points out how nature’s attempts over geological time spans are emulated by recent human synthetic activity in the fullerene arena, through the appearance of various morphologies of natural graphite. The book concludes with a method for describing fractal-like mole cules, and an index based on the method for appropriate compounds described in the text.

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Electron Correlations in Molecules and Solids


Free Download Electron Correlations in Molecules and Solids By Professor P. Fulde (auth.)
1995 | 483 Pages | ISBN: 3540593640 | PDF | 11 MB
Electron Correlations in Molecules and Solids bridges the gap between quantum chemistry and solid-state theory. In the first half of the text new concepts are developed for treating many-body and correlation effects, combining standard quantum chemical methods with projection techniques, Greens-function methods and Monto-Carlo techniques. The second half deals with applications of the theory to molecules, semiconductors, transition metals, heavy fermion systems, and the new high-Tc superconducting materials.

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Density Functional Theory of Molecules, Clusters, and Solids


Free Download Density Functional Theory of Molecules, Clusters, and Solids By M. A. Buijse (auth.), D. E. Ellis (eds.)
1996 | 320 Pages | ISBN: 0792330838 | PDF | 13 MB
Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.

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Structure and Dynamics of Atoms and Molecules Conceptual Trends


Free Download Structure and Dynamics of Atoms and Molecules: Conceptual Trends By R. Lefebvre (auth.), J. L. Calais, E. S. Kryachko (eds.)
1995 | 262 Pages | ISBN: 9401041164 | PDF | 18 MB
The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.

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Relativistic Theory of Atoms and Molecules III A Bibliography 1993-1999


Free Download Relativistic Theory of Atoms and Molecules III: A Bibliography 1993-1999 By Prof. Pekka Pyykkö (auth.)
2000 | 354 Pages | ISBN: 3540413987 | PDF | 13 MB
Relativistic effects are of major importance for understanding the properties of heavier atoms and molecules. Volumes I-III of "Relativistic Theory of Atoms and Molecules" are the only available bibliography on related calculations. In Volume III, 3792 new references, covering 1993-1999, are added to the database. The material is characterized by an analysis of the respective papers. The volume gives the user a comprehensive bibliography on relativistic atomic and molecular calculations, including studies on the Dirac equation and realted solid-state work.

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