Computational Chemistry of Supramolecular Systems PDF Download
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Author: Verena Moha
Publisher:
ISBN:
Category :
Languages : en
Pages : 202
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Book Description
Author: Verena Moha
Publisher:
ISBN:
Category :
Languages : en
Pages : 202
Get Book Here
Book Description
Author: J.E. Davies
Publisher: Springer Science & Business Media
ISBN: 940157989X
Category : Science
Languages : en
Pages : 310
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Book Description
Physical techniques such as X-ray crystallography, IR spectroscopy and solution-phase NMR spectroscopy have played key roles in the development of supramolecular chemistry. In recent years other spectroscopic techniques have been applied, expanding the range of information obtainable. The most widely used technique is solid-state NMR spectroscopy but techniques such as neutron scattering and NQR spectroscopy can yield significant information. Computational approaches are now becoming powerful complementary methods to experimental techniques and this book reviews the application of these methods to supramolecular systems. The ten chapters provide up-to-date information on the applications of spectroscopic and computational techniques to a wide range of supramolecular systems: Solid State NMR Studies of Host-Guest Materials Infrared Studies of Zeolite Complexes NQR Studies of Inclusion Compounds Neutron Scattering Studies of Zeolite Complexes Solid State NMR Studies of Catalytic Reactions on Molecular Sieves Recent Advances in Computational Studies of Zeolites Theoretical Studies of Cyclodextrins and their Inclusion Complexes Computer Modelling of the Structures of Host-Guest Complexes Computational Studies of Clathrate Hydrates Ab initio Electronic Structure Calculations on Endohedral Complexes of the C60 Cluster. This timely book will prove to be of great value to supramolecular researchers who are familiar with the spectroscopic techniques but who wish to extend their knowledge of the computational methods (and vice versa), to supramolecular researchers working in allied areas whose work would benefit from applying spectroscopic and computational methods, and finally to workers just entering the fascinating area of supramolecular chemistry.
Author: G. Wipff
Publisher: Springer Science & Business Media
ISBN: 9401110581
Category : Science
Languages : en
Pages : 529
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Book Description
Supramolecular chemistry has been defined by J.-M. Lehn as "a highly interdisciplinary field of science covering the chemical, physical, and biological features of chemical species of higher complexity, that are held together and organized by means of intermolecular (noncovalent) binding interactions" (Science, 1993). Recognition, reactivity, and transport represent three basic functional features, in essence dynami~s, which may be translated into structural features. The purpose of the NATO workshop which took place september 1-5, 1993 at the Bischenberg (near Strasbourg) was to present computations which may contribute to the atomic level understanding of the structural and thermodynamical features involved in the processes of molecular recognition and supramolecular organization. of "supra-molecular modeling". Other The main focus was therefore, on the many facets applications of computers in chemistry, such as automation, simulation of processes, procedures for fitting kinetic or thermodynamic data, computer assisted synthetic strategies, use of data bases for structure elucidation or for bibliographic searches, have an obvious impact in supramolecular chemistry as well, but were not presented at the workshop.
Author: Charlotte Pena
Publisher: Nova Science Publishers
ISBN: 9781634858854
Category : Supramolecular chemistry
Languages : en
Pages : 0
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Book Description
Supramolecular chemistry provides ingenious strategies for the elaboration of functional systems from readily available molecular components. These methodologies have been used for the development of sensors, catalysts, energy or electron transfer systems, agents for photodynamic therapy and so forth. This book reviews the chemistry, types and applications of supramolecular systems. Chapter One discusses the design and applications of supramolecular systems based on (thia)calixarene ammonium derivatives. Chapter Two gives an overview of the methods of stabilisation of the elusive bare {V6O19} structure by different capping moieties and substituents, illustrates the main synthetic strategies toward the formation of fully-oxidised {VV6}, mixed-valence {VV/VI6}, and fully reduced {VIV6} trisalkoxohexavanadates, describes bis-(trisalkoxo)hexavanadates obtained by post-functionalisation reactions, and details their reactivity towards transition metals and lanthanoid complexes. Chapter Three emphasises the suitability of supramolecular interactions to provide porous materials which have been called Supramolecular Metal-Organic Frameworks (SMOFs). Chapter Four discusses self-assembly of porphyrins in the context of its relevance to photosynthesis.
Author: G. Wipff
Publisher:
ISBN: 9789401110594
Category :
Languages : en
Pages : 554
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Book Description
Author: J. E. Davies
Publisher:
ISBN: 9789401579902
Category :
Languages : en
Pages : 320
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Book Description
Author: Katsuhiko Ariga
Publisher: Springer Science & Business Media
ISBN: 3540261850
Category : Science
Languages : en
Pages : 215
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Book Description
The fundamentals of "supramolecular chemistry" to the latest developments on the subject are covered by this book. It sets out to explain the topic in a relatively easy way. The basic concepts of molecular recognition chemistry are included. Molecules with fascinating shapes and functions such as fullerenes, carbon nanotubes, dendrimers, rotaxane, and catenane, and molecular assemblies are also explained. Thereafter applications of supermolecules to nanotechnology are introduced with many examples of molecular devices. The last part of the book describes biological supermolecules and their mimics. Though simply explained undergraduate and graduate students in Chemistry will be able to use aspects of this work as an advanced textbook.
Author: Sankarasekaran Shanmugaraju
Publisher: Elsevier
ISBN: 0323907059
Category : Science
Languages : en
Pages : 498
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Book Description
Supramolecular Coordination Complexes: Design, Synthesis, and Applications discusses the growth of the field and explores the advantages, opportunities and latest applications of supramolecular complexes. Beginning with an introduction to design principles, synthetic methods, and post-synthetic functionalization of supramolecular complexes, the book goes on to compile the different analytical and computational modeling methods used to understand the structure and functional properties of supramolecular structures. Applications of supramolecular complexes in biomedicine, sensing, catalysis and materials are then explored in detail. Drawing on the knowledge of a global team of experts, this book provides a wealth of interesting information for students and researchers working in the design, synthesis or application of such complexes. Discusses cutting-edge approaches for the investigation of supramolecular coordination chemistry Summarizes a varied range of supramolecular coordination, complex designs and applications Highlights the interdisciplinary connections between supramolecular chemistry and the fields of biology and materials science
Author: G.W. Gokel
Publisher: Elsevier
ISBN: 0080551963
Category : Science
Languages : en
Pages : 327
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Book Description
In this volume, inorganic, organic, and bioorganic chemistry are represented in contributions from around the world. Pioneering work in self-assembled structures organized by the use of transition metals is described in chapter 1, followed by details of extensive studies of self-assembled structures formed from various biomolecules in chapter 2. The next two chapters describe the formation of spherical molecular containers and their understanding of such structures based on Platonic and Archimedean solids, and the fascinating family of synthetic peptide receptors and the interactions that can be explored using these host molecules. In chapter 5 a mixture of computational chemistry, drug design, and synthetic organic and inorganic chemistry in the development of superoxide dismutase mimics is described. The final two chapters discuss the bioorganic and supramolecular principles required for the design of synthetic artificial enzymes, and the supramolecular self-assembly and its possible role in the origin of life.It is hoped that this broad, international view of supramolecular chemistry and the many directions it leads will be of interest to those already in the field. It is also hoped that those outside the field may see extensions of their own work that will bring them into it.
Author: Ian M Atkinson
Publisher: Royal Society of Chemistry
ISBN: 1847551866
Category : Science
Languages : en
Pages : 235
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Book Description
Molecular self-assembly is a widespread phenomenon in both chemistry and biochemistry. Yet it was not until the rise of supramolecular chemistry that attention has increasingly been given to the designed self-assembly of a variety of synthetic molecules and ions. To a large extent, success in this area has reflected knowledge gained from nature. However, an increased awareness of the latent steric and electronic information implanted in individual molecular components has also contributed to this success. Whilst not yet approaching the sophistication of biological assemblies, synthetic systems of increasing subtlety and considerable aesthetic appeal have been created. Self-Assembly in Supramolecular Systems surveys highlights of the progress made in the creation of discrete synthetic assemblies and provides a foundation for new workers in the area, as well as background reading for experienced supramolecular chemists.
