Download or read book Theoretical Treatment of Large Molecules and Their Interactions written by Zvonimir B. Maksic and published by Springer Science & Business Media. This book was released on 2013-03-07 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Theoretical Treatment of Large Molecules and Their Interactions written by János Ángyán and published by Springer. This book was released on 1991 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.
Download or read book Theoretical Treatment of Large Molecules and Their Interactions written by and published by . This book was released on 1991 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theoretical Models of Chemical Bonding written by Zvonimir B. Maksic and published by Springer. This book was released on 1991 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.
Download or read book Theoretical Aspects of Laser Radiation and Its Interaction with Atomic and Molecular Systems written by and published by . This book was released on 1977 with total page 64 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Interactions written by David A. Micha and published by John Wiley & Sons. This book was released on 2020-01-02 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems – emphasizing concepts and methods used in calculations with realistic models and compared with empirical data. Contains applications to many physical systems and worked examples Proceeds from introductory material to advanced modern treatments Has relevance for new materials, biological phenomena, and energy and fuels production
Download or read book Catalysis An Integrated Approach written by R.A. van Santen and published by Elsevier. This book was released on 2000-09-26 with total page 646 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Interactions in Molecules written by Sigrid D. Peyerimhoff and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Special Smarandache Curves with Respect to Darboux Frame in Galilean 3 Space written by Tevfik Sahin and published by Infinite Study. This book was released on with total page 15 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Theory of Molecular Interactions written by Ilʹi︠a︡ Grigorʹevich Kaplan and published by Elsevier Publishing Company. This book was released on 1986 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Journal of the Chemical Society written by and published by . This book was released on 1991 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Recent Progress in Coupled Cluster Methods written by Petr Cársky and published by Springer Science & Business Media. This book was released on 2010-07-03 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the rst ab initio calcu- tion were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new signi cant results. Extensive use of the coupled-cluster method started at the beginning of the eighties. With the help of more powerful computers the results of coupled-cluster approaches started to yield more and more interesting results of relevance to the interpretation of experimental data. New ideas in methodology kept appearing and computer codes became more and more ef cient. This exciting situation continues to this very day. Remarkably enough, even the - quired equations can now be generated by a computer with the help of symbolic languages. The size of this monograph and the rich variety of articles it contains attests to the usefulness and viability of the couple-cluster formalism for the h- dling of many-electron correlation effects. This represents a vivid testimony of a tremendous work that has been accomplished in coupled-cluster methodology and its exploitation.
Download or read book QuaSAR Quantitative Structure Activity Relationships of Analgesics Narcotic Antagonists and Hallucinogens written by and published by . This book was released on 1978 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Environmental Health Perspectives written by and published by . This book was released on 1985 with total page 1028 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Modelling written by Alan Hinchliffe and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.
Download or read book Charge and Energy Transfer Dynamics in Molecular Systems written by Volkhard May and published by John Wiley & Sons. This book was released on 2011-04-27 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena. Among the new topics are: - Time-dependent density functional theory - Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces - Current flows through a single molecule. While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.
Download or read book Air and Water Pollution Annual Report written by National Measurement Laboratory (U.S.) and published by . This book was released on 1961 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
