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Trends and Perspectives in Modern Computational Science
Contains a collection of the lectures of the invited speakers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. This book presents developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering.
Advances in Quantum Chemistry
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, and chemistry. With invited reviews written by leading international researchers, as well as regular thematic issues, each volume presents new results and provides a single vehicle for following progress in this interdisciplinary area. Volume 47 is a tribute in honor of Professor Osvaldo Goscinski. The volume will look at the accomplishments of a man who has led a remarkable development within the field and developed and strengthened scientific networks in Quantum Chemistry and Chemical Physics. - Provides a tribute in honor of Professor Osvaldo Goscinski, a man who has led a remarkable development within the field
Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules
At the American Chemical Society meeting in Philadelphia, Pennsylvania, U.S.A., a symposium was organized entitled, "Comparison of Ab Initio Quantum Chemistry with Experiment: State-of-the-Art." The intent of the symposium was to bring together forefront experimen talists, who perform the types of clean, penetrating experiments that are amenable to thorough theoretical analysis, with inventive theore ticians who have developed high accuracy ab initio methods that are capable of competing favorably with experiment, to assess the current applicability of theoretical methods in chemistry. Contributions from many of those speakers (see Appendix A) plus others selected for their expertise in the ...
Advances in Quantum Chemistry
Advances in Quantum Chemistry
Electron Distributions and the Chemical Bond
This book represents the proceedings of a symposium held at the Spring 1981 ACS meeting in Atlanta. The symposium brought together Theoretical Chemists, Solid State Physicists, Experimen tal Chemists and Crystallographers. One of its major aims was to increase interaction between these diverse groups which often use very different languages to describe similar concepts. The devel opment of a common language, or at least the acquisition of a multilingual capability, is a necessity if the field is to prosper. Much depends in this field on the interplay between theory and experiment. Accordingly this volume begins with two introduc tory chapters, one theoretical and the other experimental, whic...
Electron and Magnetization Densities in Molecules and Crystals
The interest of describing the ground state properties of a system in terms of one electron density (or its two spin components) is obvious, in particular due to the simple physical significance of this function. Recent experimental progress in diffraction made the measurement of charge and magnetization densities in crystalline solids possible, with an accuracy at least as good as theoretical accuracy. Theoretical developments of the many-body problem have proved the extreme importance of the one electron density function and presently, accurate methods of band structure determination become available. Parallel to the diffraction techniques, other domains of research (inelastic scattering, ...
High-Temperature Superconductivity
This volume contains the proceedings of the University of Miami Workshop on the subject of "Electronic Structure and Mechanisms for High Temperature Super conductivity". The workshop was held at the James L. Knight Physics Building on the campus of the University of Miami, Coral Gables, 3-9 January 1991. Some 106 scientists from 12 countries attended this workshop, most of whom presented either invited or contributed papers. The reader will find in this volume a series of papers discussing the most im portant experimental and theoretical developments as of winter/spring 1990/1991. Despite more than four years of intensive research on high-T materials, there has c been considerable controversy both with respect to the interpretation of experiment and even more so in connection with the construction of an appropriate theory. In this regard, workshops such as this, gathering scientists with many viewpoints, and varying specialization, and fostering constructive discussions, are important in the de velopment of a common ground. Of major concern in the present context were the basic physical processes involved in high-temperature superconductivity.
Directory of Graduate Research
Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
