Applied Theoretical Chemistry 1987. Pt. 3 PDF Download
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Author: P.R. Surján
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author: P.R. Surján
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author: World Congress of Theoretical Organic Chemists
Publisher:
ISBN:
Category :
Languages : en
Pages : 218
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Author: Jacobus Henricus Van Hoff
Publisher:
ISBN: 9783348010689
Category :
Languages : en
Pages : 148
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Author: L.A. Montero
Publisher: Springer Science & Business Media
ISBN: 9401124981
Category : Science
Languages : en
Pages : 216
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Book Description
The present volume gathers a series of selected and updated contributions presented at the International Symposium on Applied Theoretical Chemistry held in Havana, Cuba, July 2-6, 1990. This Symposium was intended to illustrate current applications of Theoretical Chemistry in different fields of Physical Chemistry. Theoretical Chemistry has become a powerful tool of investigation in all areas of Chemistry, Biochemistry, and Physical Chemistry. The plenary lectures given in the Symposium were classified into four topics: Atom-Surface Interactions, Chemical Reaction Mechanisms, Molecular Structure and Properties, and Molecular Spectroscopy. We retain the same division in this volume. Over 60 scientists from Cuba, Finland, France, Germany, Great-Britain, Hungary, Italy, Spain, Sweden, USA, USSR, and Venezuela participated in the Conference. Twenty plenary lectures were given by distinguished members of the international scientific community. Furthermore, a large number of posters were presented by younger experts in various fields of Theoretical Chemistry. This International Symposium was organized by the Faculty of Chemistry of the University of Havana and the Cuban Chemical Society. It was an opportunity to bring together in Havana several outstanding scientists from various countries of the world. Havana is worldwide renown for its wonderful climate, the hospitality of its inhabitants, and the proximity of beautiful touring resorts.
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: Jean-Loup Faulon
Publisher: CRC Press
ISBN: 9781420082999
Category : Science
Languages : en
Pages : 454
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Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source.After a historical persp
Author: Wade H. Shafer
Publisher: Springer Science & Business Media
ISBN: 1461305993
Category : Science
Languages : en
Pages : 411
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Book Description
Masters Theses in the Pure and Applied Sciences was first conceived, published, and disseminated by the Center for Information and Numerical Data Analysis and Synthesis (CINDAS) * at Purdue University in 1 957, starting its coverage of theses with the academic year 1955. Beginning with Volume 13, the printing and dissemination phases of the activity were transferred to University Microfilms/Xerox of Ann Arbor, Michigan, with the thought that such an arrangement would be more beneficial to the academic and general scientific and technical community. After five years of this joint undertaking we had concluded that it was in the interest of all con cerned if the printing and distribution of the volumes were handled by an interna tional publishing house to assure improved service and broader dissemination. Hence, starting with Volume 18, Masters Theses in the Pure and Applied Sciences has been disseminated on a worldwide basis by Plenum Publishing Cor poration of New York, and in the same year the coverage was broadened to include Canadian universities. All back issues can also be ordered from Plenum. We have reported in Volume 32 (thesis year 1987) a total of 12,483 theses titles from 22 Canadian and 176 United States universities. We are sure that this broader base for these titles reported will greatly enhance the value of this important annual reference work. While Volume 32 reports theses submitted in 1987, on occasion, certain univer sities do report theses submitted in previous years but not reported at the time.
Author: Peter Atkins
Publisher: Macmillan
ISBN: 9780716735397
Category : Science
Languages : en
Pages : 1188
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New edition of the overwhelmingly favorite text for the physical chemistry course.
Author: Zvonimir B. Maksic
Publisher: Springer Science & Business Media
ISBN: 364258179X
Category : Science
Languages : en
Pages : 643
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Book Description
The renowned theoretical physicist Victor F. Weisskopf rightly pointed out that a real understanding of natural phenomena implies a clear distinction between the essential and the peripheral. Only when we reach such an understanding - that is to say when we are able to separate the relevant from the irrelevant, will the phenomena no longer appear complex, but intelectually transparent. This statement, which is generally valid, reflects the very essence ofmodelling in the quantum theory of matter, on the molecular level in particular. Indeed, without theoretical models one would be swamped by too many details embodied in intricate accurate molecular wavefunctions. Further, physically justified simplificqtions enable studies of the otherwise intractable systems and/or phenomena. Finally, a lack of appropriate models would leave myriads of raw experimental data totally unrelated and incomprehensible. The present series ofbooks dwells on the most important models of chemical bonding and on the variety of its manifestations. In this volume the electronic structure and properties of molecules are considered in depth. Particular attention is focused on the nature of intramolecular interactions which in turn are revealed by various types ofmolecular spectroscopy. Emphasis is put on the conceptual and interpretive aspects of the theory in line with the general philosophy adopted in the series.
Author: United States. National Bureau of Standards
Publisher:
ISBN:
Category :
Languages : en
Pages : 404
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