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Functionality of Molecular Systems

Functionality of Molecular Systems
Author: Kenichi Honda
Publisher: Springer Science & Business Media
Total Pages: 255
Release: 2012-12-06
Genre: Technology & Engineering
ISBN: 4431685502

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Molecular systems are assemblies of molecules designed to possess special qualities and desired functionality. Such systems are important because they provide materials with novel properties, and they will be particularly useful for minimizing electronic devices. In this two volume work, the first volume, subtitled 'From Molecules to Molecular Systems', covered the fundamentals of molecular design, while volume 2 deals with the potential applications of molecular systems. Information transduction and energy conversion are the basis of any practical device, and these considerations, along with the required interconnections and interfaces, are analyzed to produce the architectural design for a molecular system. The preparation of molecular systems is also considered, including that of self-organizing molecular assemblies, ultrathin films, and ultrafine particles.


From Molecules to Molecular Systems

From Molecules to Molecular Systems
Author: Saburo Nagakura
Publisher: Springer Science & Business Media
Total Pages: 340
Release: 2013-03-14
Genre: Science
ISBN: 4431668683

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Molecular systems are assemblies of molecules designed to possess special qualities and desired functionality. Such systems are important because they provide materials with novel properties, and they will be particularly useful for minimizing electronic devices. Molecular systems often form organized molecular crystals, polymers, or thin films that are significantly more complex than current materials. To provide a sound basis for understanding these levels of complexity, this book provides an analysis of the fundamentals of electronic structures, dynamic processes in condensed phases, and the unique properties of organic molecular solids and the environmental effects on these properties. Also covered are the latest methods in physical chemistry that are particularly useful for deriving and controlling the functionality of molecular systems. A second volume subtitled From Molecular Systems to Molecular Devices is also being published.


Information Theory of Molecular Systems

Information Theory of Molecular Systems
Author: Roman F Nalewajski
Publisher: Elsevier
Total Pages: 463
Release: 2006-03-31
Genre: Science
ISBN: 0080459749

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As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity. ·Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity·Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT)·Outlines main ideas and techniques of Information Theory


Quantum Modeling of Complex Molecular Systems

Quantum Modeling of Complex Molecular Systems
Author: Jean-Louis Rivail
Publisher: Springer
Total Pages: 524
Release: 2015-10-13
Genre: Science
ISBN: 3319216260

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This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.


Solitons in Molecular Systems

Solitons in Molecular Systems
Author: Davydov
Publisher: Springer Science & Business Media
Total Pages: 337
Release: 2013-03-09
Genre: Science
ISBN: 9401730253

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Approach your problems from the It isn't that they can't see the end and begin with the answers. solution. It is that they can't Then one day, perhaps you will see the problem. find the final question. G.K. Chesterton. The Scandal of 'The Hermit Clad in Crane Father Brown 'The Point of a Pin'. Feathers' in R. van Gulik's The Chinese Maze Murders. Growing specialization and diversification have brought a host of mono graphs and textbooks on increasingly topics. However, the "tree" of knowledge of mathematics and related fields does not grow only by putting forth new branches. It also happens, quite often in fact, that branches which were thought to be completely disparate are suddenly seen to be related. Further, the kind and level of sophistication of mathematics applied in various sciences has changed drastically in recent years: measure theory is used (non-trivially) in regional and theoretical economics; algebraic geometry interacts with physics; the Minkowsky lemma, coding theory and the structure of water meet one another in packing and covering theory; quantum fields, crystal defects and mathematical pro gramming profit from homotopy theory; Lie algebras are relevant to filtering; and prediction and electric engineering can use Stein spaces. And in addition to this there are such new emerging subdisciplines as "complete integrable systems", "chaos, synergetics and large-scale order", which are almost impossible to fit into the existing classifica tion schemes. The draw upon widely different sections of mathematics.


Synergetics of Molecular Systems

Synergetics of Molecular Systems
Author: Lev N. Lupichev
Publisher: Springer
Total Pages: 337
Release: 2014-08-19
Genre: Science
ISBN: 3319081950

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Synergetics is the quantitative study of multicomponent systems that exhibit nonlinear dynamics and cooperativity. This book specifically considers basic models of the nonlinear dynamics of molecular systems and discusses relevant applications in biological physics and the polymer sciences. Emphasis is placed on specific solutions to the dynamical equations that correspond to the coherent formation of spatial-temporal structures, such as solitons, kinks and breathers, in particular. The emergence of these patterns in molecular structures provides a variety of information on their structural properties and plays a significant part in energy transfer processes, topological defects, dislocations, and related structure transitions. Real media, in which solitons take the form of solitary waves, are also considered. In this context, the formation of nonlinear waves in a continuous medium described by nonlinear equations is associated with spontaneous breaking of the local symmetry of the homogeneous system, which produces a range of interesting phenomena. A particular feature of this text is its combination of analytic and computational strategies to tackle difficult nonlinear problems at the molecular level of matter.


Out-of-Equilibrium (Supra)molecular Systems and Materials

Out-of-Equilibrium (Supra)molecular Systems and Materials
Author: Nicolas Giuseppone
Publisher: John Wiley & Sons
Total Pages: 448
Release: 2021-03-30
Genre: Science
ISBN: 3527821988

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A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.


Molecular Systems Engineering

Molecular Systems Engineering
Author:
Publisher: John Wiley & Sons
Total Pages: 331
Release: 2010-04-26
Genre: Technology & Engineering
ISBN: 3527316957

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Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference for years to come.