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High Performance Computing Systems and Applications
High Performance Computing Systems and Applications contains the fully refereed papers from the 13th Annual Symposium on High Performance Computing, held in Kingston, Canada, in June 1999. This book presents the latest research in HPC architectures, distributed and shared memory performance, algorithms and solvers, with special sessions on atmospheric science, computational chemistry and physics. High Performance Computing Systems and Applications is suitable as a secondary text for graduate level courses, and as a reference for researchers and practitioners in industry.
Potential Energy Surfaces and Dynamics Calculations
The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powe...
The Chemistry of Organic Silicon Compounds, Volume 3
Complementing the six volumes already published in Patai'sChemistry of the Functional Groups series this title covers topicsnot previously updated in the set. Written by key researchers in the field it includes more practicalchapters and industrial examples than before as well as additionalmaterial. There is a strong emphasis on "Poly" derivatives of variousclasses of silicon compounds as well as a chapter on silicon inmodern high-technology. These supplement the "practical" parts ofearlier volumes and enhance past material. * Continues with the high standard expected of the series * Complement to the 3 volume set of the chemistry of organicsilicon compounds published in 1998 * Updates conte...
Reviews in Computational Chemistry
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. * A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. * ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
