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Molecular Materials With Specific Interactions Modeling And Design
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Book Synopsis Molecular Materials with Specific Interactions - Modeling and Design by : W. Andrzej Sokalski
Download or read book Molecular Materials with Specific Interactions - Modeling and Design written by W. Andrzej Sokalski and published by Springer Science & Business Media. This book was released on 2007-05-06 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.
Book Synopsis Molecular and Nano Electronics: Analysis, Design and Simulation by : Jorge M. Seminario
Download or read book Molecular and Nano Electronics: Analysis, Design and Simulation written by Jorge M. Seminario and published by Elsevier. This book was released on 2006-10-24 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of Molecular and Nano Electronics: Analysis, Design and Simulation is to draw together contributions from some of the most active researchers in this new field in order to illustrate a theory guided-approach to the design of molecular and nano-electronics. The field of molecular and nano-electronics has driven solutions for a post microelectronics era, where microelectronics dominate through the use of silicon as the preferred material and photo-lithography as the fabrication technique to build binary devices (transistors). The construction of such devices yields gates that are able to perform Boolean operations and can be combined with computational systems, capable of storing, processing, and transmitting digital signals encoded as electron currents and charges. Since the invention of the integrated circuits, microelectronics has reached increasing performances by decreasing strategically the size of its devices and systems, an approach known as scaling-down, which simultaneously allow the devices to operate at higher speeds. * Provides a theory-guided approach to the design of molecular and nano-electronics * Includes solutions for researchers working in this area * Contributions from some of the most active researchers in the field of nano-electronics
Book Synopsis Structural and Mechanistic Enzymology by :
Download or read book Structural and Mechanistic Enzymology written by and published by Academic Press. This book was released on 2012-10-22 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: Both strategies for investigation (computational and experimental) in structural and mechanistic Enzymology have developed to some extent independently. However, over the last few years a trend has emerged for strengthening their integration. This combination not only brings together computations and experiments focused on the same enzymatic problems, but also provides complementary insights into the investigated properties and has a powerful synergy effect. This thematic volume of Advances in Protein Chemistry and Structural Biology focuses on the recent success in structural and mechanistic enzymology and has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches. The selected contributions demonstrate how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design. Focuses on the recent success in structural and mechanistic enzymology Has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches Demonstrates how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design
Book Synopsis The Strontium Molecular Lattice Clock by : Kon H. Leung
Download or read book The Strontium Molecular Lattice Clock written by Kon H. Leung and published by Springer Nature. This book was released on 2023-12-28 with total page 173 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis describes how the rich internal degrees of freedom of molecules can be exploited to construct the first “clock” based on ultracold molecules, rather than atoms. By holding the molecules in an optical lattice trap, the vibrational clock is engineered to have a high oscillation quality factor, facilitating the full characterization of frequency shifts affecting the clock at the hertz level. The prototypical vibrational molecular clock is shown to have a systematic fractional uncertainty at the 14th decimal place, matching the performance of the earliest optical atomic lattice clocks. As part of this effort, deeply bound strontium dimers are coherently created, and ultracold collisions of these Van der Waals molecules are studied for the first time, revealing inelastic losses at the universal rate. The thesis reports one of the most accurate measurements of a molecule’s vibrational transition frequency to date. The molecular clock lays the groundwork for explorations into terahertz metrology, quantum chemistry, and fundamental interactions at atomic length scales.
Book Synopsis Design and Applications of Nanomaterials for Sensors by : Jorge M. Seminario
Download or read book Design and Applications of Nanomaterials for Sensors written by Jorge M. Seminario and published by Springer. This book was released on 2014-07-08 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design and Applications of Nano materials for Sensors begins with an introductory contribution by the editors that: gives an overview of the present state of computational and theoretical methods for nanotechnology; outlines hot topics in this field and points to expected developments in the near future. This general introduction is followed by 15-30 review chapters by invited experts who have substantially contributed to the recent developments of nano materials for sensors. Guided by molecular and quantum theories, this contributed volume gives a broad picture of the current and past advances that were necessary to develop nano sensors using nano materials. To illustrate the important and relevant applications of nano materials, Design and Applications of Nano materials for Sensors focuses on recent advances that extend the scope of possible applications of the theory, improve the accuracy with respect to experimentation and reduce the cost of these calculations. This volume also features new applications of theoretical chemistry methods to problems of recent general interest in nanotechnology whereby large computational experiments are now necessary.
Book Synopsis Drug Discovery and Development by : Omboon Vallisuta
Download or read book Drug Discovery and Development written by Omboon Vallisuta and published by BoD – Books on Demand. This book was released on 2015-06-03 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is very important for scientists all over the globe to enhance drug discovery research for better human health. This book demonstrates that various expertise are essential for drug discovery including synthetic or natural drugs, clinical pharmacology, receptor identification, drug metabolism, pharmacodynamic and pharmacokinetic research. The following 5 sections cover diverse chapter topics in drug discovery: Natural Products as Sources of Leading Molecules in Drug Discovery; Oncology and Drug Discovery; Receptors Involvement in Drug Discovery; Management and Development of Drugs against Infectious Diseases; Advanced Methodology.
Book Synopsis Radiation Induced Molecular Phenomena in Nucleic Acids by : Manoj Shukla
Download or read book Radiation Induced Molecular Phenomena in Nucleic Acids written by Manoj Shukla and published by Springer Science & Business Media. This book was released on 2008-05-08 with total page 677 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive theoretical and experimental analysis of UV-radiation and low energy electron induced phenomena in nucleic acid bases (NABs) and base assemblies are presented in this book. NABs are highly photostable; the absorbed energy is dissipated in the form of ultrafast nonradiative decay. This book highlights the possible mechanisms of these phenomena which is important for all living species and discusses technical challenges in exploration of these processes.
Download or read book Cold Chemistry written by Olivier Dulieu and published by Royal Society of Chemistry. This book was released on 2017-12-12 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explores the theoretical and experimental aspects of cold and ultracold molecular collisions, for students and researchers in theoretical chemistry and chemical reaction/molecular dynamics.
Book Synopsis Applying Molecular and Materials Modeling by : Phillip Westmoreland
Download or read book Applying Molecular and Materials Modeling written by Phillip Westmoreland and published by Springer Science & Business Media. This book was released on 2002-10-31 with total page 58 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Book Synopsis Magnetic Molecular Materials by : D. Gatteschi
Download or read book Magnetic Molecular Materials written by D. Gatteschi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the major challenges of science in the last few years of the second millennium is learning how to design materials which can fulfill specific tasks. Ambitious as it may be, the possibilities of success are not ne~li~ble provided that all the different expertises merge to overcome the limits of eXIsting disciplines and forming new paradigms science. The NATO Advanced Research Workshop on "Magnetic Molecular Materials" was organized with the above considerations in mind in order to determine which are the most appropriate synthetic strategies, experimental techniques of investigation, and theoretical models which are needed in order to develop new classes of magnetic materials which are based on molecules rather than on metallic or ionic lattices. Why molecules? The answer may be obvious: molecular chemistry in principle fine can tune the structures and the properties of complex aggregates, and nature already provides a large number of molecular aggregates which can perform the most disparate functions. The contributions collected in this book provide a rather complete view of the current research accomplishments of magnetic molecular materials. There are several different synthetic approaches which are followed ranging from purely organic to inorganic materials. Some encouraging successes have already been achieved, even if the critical temperatures below which magnetic order is observed still are in the range requiring liquid helium.
Book Synopsis Molecular Modeling for the Design of Novel Performance Chemicals and Materials by : Beena Rai
Download or read book Molecular Modeling for the Design of Novel Performance Chemicals and Materials written by Beena Rai and published by CRC Press. This book was released on 2012-03-23 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and
Book Synopsis Engineering of Crystalline Materials Properties by : Juan J. Novoa
Download or read book Engineering of Crystalline Materials Properties written by Juan J. Novoa and published by Springer Science & Business Media. This book was released on 2007-12-14 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume collects the state of the art in molecular materials. It collects the lecture notes of a series of lectures given by some of the best specialists in the field at the 2007 Erice International School of Crystallography, and also a NATO-ASI course. The school first established "where we are" in terms of modeling, design, synthesis and applications of crystalline solids with predefined properties and then defined current and possible futuristic lines of development.
Book Synopsis Phosphorous Heterocycles I by : Raj K. Bansal
Download or read book Phosphorous Heterocycles I written by Raj K. Bansal and published by Springer. This book was released on 2009-05-28 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: See Table of Contents (PMP)
Book Synopsis Computational Chemistry and Molecular Modeling by : K. I. Ramachandran
Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran and published by Springer Science & Business Media. This book was released on 2008-06-13 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Book Synopsis Combining Simulations, Theory, and Experiments into Multiscale Models of Biological Events by : Fabio Trovato
Download or read book Combining Simulations, Theory, and Experiments into Multiscale Models of Biological Events written by Fabio Trovato and published by Frontiers Media SA. This book was released on 2022-01-11 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Interactions by : David A. Micha
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
Book Synopsis Computer-Aided Molecular Design by : Jean-Pierre Doucet
Download or read book Computer-Aided Molecular Design written by Jean-Pierre Doucet and published by Elsevier. This book was released on 1996-03-05 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a single volume and using a language which may generally be understood by students or chemists with a limited knowledge of theoretical chemistry. The purpose of this book is precisely to review, in such a language, both methodological aspects and important applications of computer-aided molecular design (CAMD), with a special emphasis on drug design and protein modeling. Using numerous examples ranging from molecular models to shapes, surfaces, and volumes, Computer-Aided Molecular Design provides coverage of the role molecular graphics play in CAMD. The text also treats the very notion of the structure of molecular systems by presenting both the various experimental techniques giving access to it and the most common model builders based on force fields. Separate chapters are devoted to other important topics in CAMD, such as Monte Carlo and molecular dynamics simulations; most common quantum chemical methods; derivation and visualization of molecular properties; and molecular similarity. Finally, strategies used in protein modeling and drug design, such as receptor mapping and the pharmacophore approach, are presented and illustrated by several examples. The book is addressed to students and researchers who wish to enter this new exciting field of molecular sciences, but also practitioners in CAMD as a comprehensive source of refreshing information in their field. Key Features * Presents a comprehensive introduction to computer-aided molecular design * Describes applications of CAMD through the use of numerous examples * Emphasizes strategies used in protein modeling and drug design * Includes separate chapters devoted to other important topics in CAMD, such as: * Monte Carlo and molecular dynamics simulations * Common quantum chemical methods * Derivation and visualization of molecular properties * Molecular similarity
