Theoretical Treatment of Large Molecules and Their Interactions

Theoretical Treatment of Large Molecules and Their Interactions
Title Theoretical Treatment of Large Molecules and Their Interactions PDF eBook
Author Zvonimir B. Maksic
Publisher Springer Science & Business Media
Pages 462
Release 2013-03-07
Genre Science
ISBN 3642581838

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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.

Non-covalent Interactions

Non-covalent Interactions
Title Non-covalent Interactions PDF eBook
Author Pavel Hobza
Publisher Royal Society of Chemistry
Pages 239
Release 2010
Genre Science
ISBN 1847558534

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Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.

Theoretical Aspects of Laser Radiation and Its Interaction with Atomic and Molecular Systems

Theoretical Aspects of Laser Radiation and Its Interaction with Atomic and Molecular Systems
Title Theoretical Aspects of Laser Radiation and Its Interaction with Atomic and Molecular Systems PDF eBook
Author
Publisher
Pages 64
Release 1977
Genre Laser beams
ISBN

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Catalysis: An Integrated Approach

Catalysis: An Integrated Approach
Title Catalysis: An Integrated Approach PDF eBook
Author R.A. van Santen
Publisher Elsevier
Pages 646
Release 2000-09-26
Genre Technology & Engineering
ISBN 9780444505934

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This book concentrates on industrially relevant reactions which are catalyzed by heterogeneous and homogeneous catalysts. Homogeneous catalysis by metal complexes is treated jointly with heterogeneous catalysis using metallic and non-metallic solids. In both areas the high degree of sophistication of spectroscopic techniques and theoretical modelling has led to an enormous increase in our understanding at the molecular level. This holds for the kinetics of the reactions and the reactivities of the catalysts, as well as for the syntheses of the catalytic materials. The development of catalysis science since the first edition of this book has necessitated a thorough revision, including special chapters on biocatalysis, catalyst characterization and adsorption methods. The multidisciplinary nature of catalysis is reflected in the choice of a novel combination of basic disciplines which will be refreshing and inspiring to readers.

Interactions in Molecules

Interactions in Molecules
Title Interactions in Molecules PDF eBook
Author Sigrid D. Peyerimhoff
Publisher John Wiley & Sons
Pages 380
Release 2003-05-08
Genre Science
ISBN 9783527277322

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Experimentalists and theoreticians from chemistry and physics present various interactions in molecules using methods of chemical synthesis, structural analysis, spectroscopy and quantum chemical computations. This work constitutes an important basis in the investigation of increasingly more complex systems such as the study of the action of drugs in pharmaceutical research. The book gives an excellent survey for the specialist and also a welcome introduction for the advanced graduate student and the researcher in neighboring fields.

Special Smarandache Curves with Respect to Darboux Frame in Galilean 3-Space

Special Smarandache Curves with Respect to Darboux Frame in Galilean 3-Space
Title Special Smarandache Curves with Respect to Darboux Frame in Galilean 3-Space PDF eBook
Author Tevfik Sahin
Publisher Infinite Study
Pages 15
Release
Genre
ISBN

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In the present paper, we investigate special Smarandache curves with Darboux apparatus with respect to Frenet and Darboux frame of an arbitrary curve on a surface in the three-dimensional Galilean space G3.

Journal of the Chemical Society

Journal of the Chemical Society
Title Journal of the Chemical Society PDF eBook
Author
Publisher
Pages 518
Release 1991
Genre Chemistry
ISBN

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