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Author: Taku Onishi Publisher: Springer Nature ISBN: 9811500061 Category : Science Languages : en Pages : 547
Book Description
This book collects recent topics of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry. It is written for computational and experimental chemists, including undergraduate students, who are working with advanced nanomaterials, where collaboration and interplay between computation and experiment are essential. After the general introduction of nanomaterials, several computational approaches are explained in Part II. Each chapter presents not only calculation methods but also concrete calculation results for advanced nanomaterials. Hydride ion conducting nanomaterials, high-k dielectric nanomaterials, and organic electronics are focused on. In Part III, the interplay between computational and experimental approaches is explained. The chapters show calculation results, combined with corresponding experimental data. Dimensionality of nanomaterials, electronic structure of oligomers and nanorods, carbon nanomaterials, and the electronic structure of a nanosized sandwich cluster is looked at carefully. In Part IV, functionality analysis is explained from the point of view of the experimental approach. The emphasis is on the mechanism of photoluminescence and hydrogen generation using silicon nanopowder, the superionic conducting mechanism of glass ceramics, nanoclusters formation on the surface of metal oxides, and the magnetic property of an organic one-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.
Author: Taku Onishi Publisher: Springer Nature ISBN: 9811500061 Category : Science Languages : en Pages : 547
Book Description
This book collects recent topics of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry. It is written for computational and experimental chemists, including undergraduate students, who are working with advanced nanomaterials, where collaboration and interplay between computation and experiment are essential. After the general introduction of nanomaterials, several computational approaches are explained in Part II. Each chapter presents not only calculation methods but also concrete calculation results for advanced nanomaterials. Hydride ion conducting nanomaterials, high-k dielectric nanomaterials, and organic electronics are focused on. In Part III, the interplay between computational and experimental approaches is explained. The chapters show calculation results, combined with corresponding experimental data. Dimensionality of nanomaterials, electronic structure of oligomers and nanorods, carbon nanomaterials, and the electronic structure of a nanosized sandwich cluster is looked at carefully. In Part IV, functionality analysis is explained from the point of view of the experimental approach. The emphasis is on the mechanism of photoluminescence and hydrogen generation using silicon nanopowder, the superionic conducting mechanism of glass ceramics, nanoclusters formation on the surface of metal oxides, and the magnetic property of an organic one-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.
Author: Publisher: Elsevier ISBN: 0444635025 Category : Technology & Engineering Languages : en Pages : 394
Book Description
Protected Metal Clusters: From Fundamentals to Applications surveys the fundamental concepts and potential applications of atomically precise metal clusters protected by organic ligands. As this class of materials is now emerging as a result of breakthroughs in synthesis and characterization that have taken place over the last few years, the book provides the first reference with a focus on these exciting novel nanomaterials, explaining their formation, and how, and why, they play an important role in the future of molecular electronics, catalysis, sensing, biological imaging, and medical diagnosis and therapy. - Surveys the fundamental concepts and potential applications of atomically precise metal clusters protected by organic ligands. - Provides well-organized, tutorial style chapters that are ideal for teaching and self-study - In-depth descriptions by top scientists in the field - Presents the state-of-the art of protected metal clusters and their future prospects
Author: P. Jena Publisher: Springer Science & Business Media ISBN: 1475703570 Category : Science Languages : en Pages : 932
Book Description
Recent advances in experimental techniques now enable researchers to produce in a laboratory clusters of atoms of desired composition from any of the elements of the periodic table. This has created a new area of research into novel materials since clusters cannot be regarded either as a "large" molecule or as a fragment of the bulk. Both experimental and theoretical studies are revealing unusual properties that are not ob served in solid state environments. The structures of micro-clusters are found to be significantly distorted from the most symmetric arrangement, some even exhibiting pentagonal symmetry commonly found in icosahedric structures. The unusual stability of certain clusters, now described as "magic number species", shows striking similarities with the nuclear shell structure. The relative stabilities of clusters depend not only on the composition of the clusters but also on their charged states. The studies on spontaneous fragmentation of mUltiply charged clusters, commonly referred to as Coulomb explosion, illustrate the role of electronic bonding mechanisms on stability of clusters. The effect of foreign atoms on geometry and stability of clusters and the interaction of gas atoms with clusters are showing promise for an indepth understanding of chemisorption and catalysis. The magnetic and optical properties are dependent not only on cluster size but also on its geometry. These findings have the potential for aiding industry in the area of micro-electronics and catalysis.
Author: Vladimir S Kislik Publisher: Elsevier ISBN: 0444537791 Category : Technology & Engineering Languages : en Pages : 573
Book Description
The main challenge in modern solvent extraction separation is that most techniques are mainly empirical, specific and particular for narrow fields of practice and require a large degree of experimentation. This concise and modern book provides a complete overview of both solvent extraction separation techniques and the novel and unified competitive complexation/solvation theory. This novel and unified technique presented in the book provides a key for a preliminary quantitative prediction of suitable extraction systems without experimentation, thus saving researchers time and resources. - Analyzes and compares both classical and new competitive models and techniques - Offers a novel and unified competitive complexation / solvation theory that permits researchers to standardize some parameters, which decreases the need for experimentation at R&D - Presents examples of applications in multiple disciplines such as chemical, biochemical, radiochemical, pharmaceutical and analytical separation - Written by an outstanding scientist who is prolific in the field of separation science
Author: Karol Jackowski Publisher: Royal Society of Chemistry ISBN: 1782623817 Category : Medical Languages : en Pages : 419
Book Description
This book covers the recent NMR studies with the application of gaseous molecules. Among the comprehensively discussed aspects of the area it includes in particular: new multinuclear experiments that deliver spectral parameters of isolated molecules and provide the most accurate values of nuclear magnetic shielding, isotropic spin–spin coupling and relaxation times; advanced, precise and correct theoretical descriptions of spectral parameters of molecules as well as the application of gas-phase NMR measurements to chemical analysis and medicine. The progress of research in these fields is enormous and has rapidly changed our knowledge and understanding of molecular parameters in NMR spectroscopy. For example, accurate studies of the shielding for isolated molecules allow the exact determination of nuclear magnetic dipole moments, the calculated values of spectral parameters can be verified by precise gas-phase NMR measurements, and the application of hyperpolarized noble gases provides excellent MRI pictures of lungs. Aimed at graduates and researchers in spectroscopy, analytical chemistry and those researching the applications of NMR in medicine, this book presents the connections between sophisticated experiments, the theory of magnetic parameters and the exploration of new methods in practice.
Author: Ron Naaman Publisher: Springer Science & Business Media ISBN: 1468474243 Category : Technology & Engineering Languages : en Pages : 338
Book Description
The workshop on "The structure of small molecules and ions" was held at the Neve-Han guest house, near Jerusalem, Israel on December 13 to 18 in mem ory of the late Professor Itzhak Plesser. Professor Plesser played a central role in the research done both at the Weizmann Institute and at Argonne National Laboratories on the "Coulomb explosion" method. His friends honored his memory by organizing a meeting in which subjects related to Plesser's interests would be discussed. Just a week be fore the conference started we were struck by another tragedy -the death of our graduate student Ms. Hana Kovner, who participated in many of the Coulomb explosion experiments at the Weizmann Institute. We would like to dedicate these proceedings to her memory as well. The goal of the workshop was to bring together chemists and physicists working on different aspects of the structural problems of small molecular en tities. The time seemed appropriate for discussing experimental and theoretical concepts, since in recent years new methods have been introduced, and a large amount of information has been accumulated on systems not studied before, like unstable molecules, ions, van der Waals molecules and clusters. The program of the workshop reflects, we believe, these new developments. The meeting was characterized by intensive discussions in which the weak nesses and strengths of new and of well established concepts were revealed. We hope that it measured up to the high standards Itzhak Plesser maintained all through his scientific life.
Author: Simon Aldridge Publisher: John Wiley & Sons ISBN: 0470976683 Category : Science Languages : en Pages : 990
Book Description
The last two decades have seen a renaissance in interest in the chemistry of the main group elements. In particular research on the metals of group 13 (aluminium, gallium, indium and thallium) has led to the synthesis and isolation of some very novel and unusual molecules, with implications for organometallic synthesis, new materials development, and with biological, medical and, environmental relevance. The Group 13 Metals Aluminium, Gallium, Indium and Thallium aims to cover new facts, developments and applications in the context of more general patterns of physical and chemical behaviour. Particular attention is paid to the main growth areas, including the chemistry of lower formal oxidation states, cluster chemistry, the investigation of solid oxides and hydroxides, advances in the formation of III-V and related compounds, the biological significance of Group 13 metal complexes, and the growing importance of the metals and their compounds in the mediation of organic reactions. Chapters cover: general features of the group 13 elements group 13 metals in the +3 oxidation state: simple inorganic compounds formal oxidation state +3: organometallic chemistry formal oxidation state +2: metal-metal bonded vs. mononuclear derivatives group 13 metals in the +1 oxidation state mixed or intermediate valence group 13 metal compounds aluminium and gallium clusters: metalloid clusters and their relation to the bulk phases, to naked clusters, and to nanoscaled materials simple and mixed metal oxides and hydroxides: solids with extended structures of different dimensionalities and porosities coordination and solution chemistry of the metals: biological, medical and, environmental relevance III-V and related semiconductor materials group 13 metal-mediated organic reactions The Group 13 Metals Aluminium, Gallium, Indium and Thallium provides a detailed, wide-ranging, and up-to-date review of the chemistry of this important group of metals. It will find a place on the bookshelves of practitioners, researchers and students working in inorganic, organometallic, and materials chemistry.
Author: M Green Publisher: Royal Society of Chemistry ISBN: 1847554172 Category : Science Languages : en Pages : 566
Book Description
Organometallic chemistry is an interdisciplinary science which continues to grow at a rapid pace. Although there is continued interest in synthetic and structural studies the last decade has seen a growing interest in the potential of organometallic chemistry to provide answers to problems in catalysis synthetic organic chemistry and also in the development of new materials. This Specialist Periodical Report aims to reflect these current interests reviewing progress in theoretical organometallic chemistry, main group chemistry, the lanthanides and all aspects of transition metal chemistry. Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Author: Taku Onishi
Author: Taku Onishi
Author: 
Author: 岡崎国立共同研究機構分子科学研究所
Author: P. Jena
Author: Vladimir S Kislik
Author: Karol Jackowski
Author: Ron Naaman
Author: James A. Schwarz
Author: Simon Aldridge
Author: M Green