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Author: Société française de chimie. Division de chimie physique. International Meeting Publisher: Elsevier Publishing Company ISBN: Category : Science Languages : en Pages : 820
Book Description
The constant progress in computing techniques and supercomputers is now enhanced by very rapid advances in molecular graphics, which gives a fresh impetus to molecular modelling. The regular and fast expansion of knowledge is manifest in both applied and theoretical fields and in all aspects of chemistry. These proceedings present a complete assessment of the most recent advances in modelling of molecular structures and properties and supplies a rich sampling of the present resources of molecular modelling in practically all domains of chemistry and biophysics. A large number of reviews by eminent specialists are included, complete with a wealth of fresh results stemming from advances in molecular graphics and computational techniques. A number of surveys deal with the main biophysical improvements or breakthroughs, e.g. molecular dynamics as applied to biomolecular properties, modelling, simulation of protein structures and properties, and protein-DNA interactions.
Author: Société française de chimie. Division de chimie physique. International Meeting Publisher: Elsevier Publishing Company ISBN: Category : Science Languages : en Pages : 820
Book Description
The constant progress in computing techniques and supercomputers is now enhanced by very rapid advances in molecular graphics, which gives a fresh impetus to molecular modelling. The regular and fast expansion of knowledge is manifest in both applied and theoretical fields and in all aspects of chemistry. These proceedings present a complete assessment of the most recent advances in modelling of molecular structures and properties and supplies a rich sampling of the present resources of molecular modelling in practically all domains of chemistry and biophysics. A large number of reviews by eminent specialists are included, complete with a wealth of fresh results stemming from advances in molecular graphics and computational techniques. A number of surveys deal with the main biophysical improvements or breakthroughs, e.g. molecular dynamics as applied to biomolecular properties, modelling, simulation of protein structures and properties, and protein-DNA interactions.
Author: G. Wipff Publisher: Springer Science & Business Media ISBN: 9780792327677 Category : Science Languages : en Pages : 554
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: Publisher: Academic Press ISBN: 0128130032 Category : Science Languages : en Pages : 376
Book Description
Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics. Topics covered in this release include the Present Status of Selected Configuration Interaction with Truncation Energy Error, Recent Developments in Asymptotic Expansions from Numerical Analysis and Approximation Theory, The kinetic energy Pauli enhancement factor and its role in determining the shell structure of atoms and molecules, Numerical Hartree-Fock and Many-Body Calculations for Diatomic Molecules, and more. - Provides reports on current work in molecular and atomic quantum mechanics - Contains work reported by many of the best scientists in the field - Presents the latest release in the Advances in Quantum Chemistry series
Author: Hong Li Publisher: Springer Nature ISBN: 3030722007 Category : Technology & Engineering Languages : en Pages : 555
Book Description
This book highlights recent developments in fiberglass research and technology development, including high-performance fiberglass chemistry; in-depth glass network structure information derived from the-state-of-the-art spectroscopic measurements, molecular dynamics simulations, and their correlations with properties; fiber surface chemistry in relation to sizing chemistry - a critical part of composite performance; fiber process stability; fundamental understanding of the batch-to-melt conversion processes and melt flow simulations; and environmental concerns such as energy efficiency and emission of volatile species, which are key to environmentally-friendly product manufacturing. The book aims to guide fiberglass researchers and manufacturers towards better awareness and, perhaps, provides potential options for global ecosystem management. More than 500 current references are included, which will enable researchers from fiber glass industry and research institution access to the most recent progress in fiberglass science and technology. Advances scientific understanding of fiberglass-forming processes, rising in popularity as a building material throughout the world; Describes the current advances in the structure and formation of fiber glass, beginning with chemistry, a wide range of characterizations, and processes, through to applications; Contains information on environmental aspects of fiberglass production, addressing energy consumption and emission.
Author: J. Lascombe Publisher: Springer Science & Business Media ISBN: 9401021775 Category : Science Languages : en Pages : 645
Book Description
When, in my capacity as President of the Societe de Chimie physique, I opened the 24th Annual Meeting of this Society, devoted this year to 'molecular motions in liquids', I was stirred by a particular emotion. This had two reasons, one general and the other rather personal. I would like to give an explanation in the Foreword to this volume of communications to the Meeting and their ensuing discussions. An essential characteristic of science is its international nature. It is like a symphony composed of contributions by all the countries playing together as an orchestra in unison. Just as a melody has different 'colours' when played by strings or woodwinds, so there exist similar 'colour' differences, subtle ones, between scientific contributions from different countries, rooted as they are in their own cultural history and liable to impoverish the ensemble if they should cease to participate. I have always had an impression of marked 'colour' differences prevailing among American, Russian, Japanese and European contributions, although within the latter group the timbre is very much the same. This is why I have dreamed of a European 'chamber orchestra' in addition to the great world orchestra.
Author: Robert G. Bednarik Publisher: Springer Science & Business Media ISBN: 1441993533 Category : Science Languages : en Pages : 220
Book Description
This book summarizes the work of several decades, culminating in a revolutionary model of recent human evolution. It challenges current consensus views fundamentally, presenting in its support a mass of evidence, much of which has never been assembled before. This evidence derives primarily from archaeology, paleoanthropology, genetics, clinical psychology, neurosciences, linguistics and cognitive sciences. No even remotely similar thesis of recent human origins has ever been published, but some of the key elements of this book have been published by the author in major refereed journals in the last two years. Its implications are far-reaching and profoundly affect the way we perceive ourselves as a species. This book about what it means to be human is heavily referenced, with a bibliography of many hundreds of scientific entries.
Author: Société française de chimie. Division de chimie physique. International Meeting
Author: Société française de chimie. Division de chimie physique. International Meeting
Author: G. Wipff
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Author: 
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Author: Hong Li
Author: J. Lascombe
Author: Robert G. Bednarik
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Author: