Applied Theoretical Chemistry 1987. Pt. 2 PDF Download
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Author: P.R. Surján
Publisher:
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Category :
Languages : en
Pages :
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Author: P.R. Surján
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author: U. Esser
Publisher: Springer Science & Business Media
ISBN: 3662123614
Category : Science
Languages : en
Pages : 1110
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Book Description
Astronomy and Astrophysics Abstracts aims to present a comprehensive documen tation of the literature concerning all aspects of astronomy, astrophysies, and their border fields. It is devoted to the recording, summarizing, and indexing of the relevant publications throughout the world. Astronomy and Astrophysics Abstracts is prepared by a special department of the Astronomisches Rechen-Institut under the auspices of the International Astronomical Union. Volume 44 records literature published in 1987 and received before February 15, 1988. Some older documents which we received late and which are not surveyed in earlier volumes are inc1uded too. We acknowledge with thanks contributions of our colleagues all over the world. We also express our gratitude to all organiza tions, observatories, and publishers which provide us with complimentary copies of their publications. Dr. Siegfried Böhme retired from his duties as co-editor of Astronomy and Astro physics Abstracts on December 31, 1987. Since 1950 he partieipated in the biblio graphie work of the institute. He served as a reviewer for the Astronomischer Jahresbericht and became one of the editors of Astronomy and Astrophysics Ab stracts in 1969. After his retirement in 1975 he took care of, particularly, the Russian literature on a voluntary basis for 12 years. It is a pleasure to thank Siegfried Böhme for his valuable contributions. Starting with Volume 33, all the recording, correction, and data processing work was done by means of computers. The recording was done by our technical staff members Ms. Helga Ballmann, Ms. Christiane Jehn, Ms. Monika Kohl, Ms.
Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0471458813
Category : Science
Languages : en
Pages : 431
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Book Description
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Author: David Young
Publisher: John Wiley & Sons
ISBN: 0471458430
Category : Science
Languages : en
Pages : 408
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A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques. Describes how the choice of methods of software affectsrequirements for computer memory and processing time.
Author: Zvonimir B. Maksic
Publisher: Springer Science & Business Media
ISBN: 3642581838
Category : Science
Languages : en
Pages : 462
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The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type of instability. It is capable of yielding precious information on the nature of the transition states, reaction paths etc. Additionally, computational chemistry gives some details of the electronic and geometric structure of molecules which remain hidden in experimental examinations. Hence, it follows that powerful numerical techniques have substantially enlarged the domain of classical chemistry. On the other hand, interpretive quantum chemistry has provided a conceptual framework which enabled rationalization and understanding of the precise data offered either by experiment or theory. It is modelling which gives a penetrating insight into the chemical phenomena and provides order in raw experimental results which would otherwise represent just a large catalogue of unrelated facts.
Author: K. P. Lawley
Publisher: John Wiley & Sons
ISBN: 047014338X
Category : Science
Languages : en
Pages : 600
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The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Author: M. Defranceschi
Publisher: Springer Science & Business Media
ISBN: 3642572375
Category : Science
Languages : en
Pages : 247
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Book Description
On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can produce a rather homogeneous presentation of the domain to an uninitiated audience. To the best of our knowledgde, nothing of this kind had never been tempted so far. It seemed to us that it was the good time for doing it, both . because the interest of applied mathematicians into the world of computational chemistry has exponentially increased in the past few years, and because the community of chemists feels more and more concerned with the numerical issues. Indeed, in the early years of Quantum Chemistry, the pioneers (Coulson, Mac Weeny, just to quote two of them) used to solve fundamental equations modelling toy systems which could be simply numerically handled in view of their very limited size. The true difficulty arose with the need to model larger systems while possibly taking into account their interaction with their environment. Hand calculations were no longer possible, and computing science came into the picture.
Author:
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ISBN:
Category : Power resources
Languages : en
Pages : 498
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Author:
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Category : United States
Languages : en
Pages : 1608
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Author: United States. National Bureau of Standards
Publisher:
ISBN:
Category : Government publications
Languages : en
Pages : 360
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