Etude structurale de phosphates de calcium par une approche combinée entre RMN à l'état solide et calculs ab initio PDF Download
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Book Description
Cette thèse a été centrée sur l’étude de phosphates de calcium en combinant la RMN en phase solide haute résolution multinucléaire (1H, 31P, 17O, 43Ca) et calculs ab initio, en tentant d’établir des corrélations entre paramètres RMN et structure. Les phosphates de calcium ont une importance considérable dans le domaine des biomatériaux car ils sont présents dans les os et les dents. La complexité chimique de ces composés fait de la RMN une technique de caractérisation attractive. Les résultats principaux concernent une très bonne corrélation entre les valeurs expérimentales et calculées pour trois des interactions RMN (CSA, quadripolaire et couplage J). Les calculs ab initio permettent ainsi d’attribuer sans ambigüité les signaux obtenus sur les spectres expérimentaux. Ces résultats permettent de relier la structure des matériaux avec les paramètres RMN. Par exemple, une corrélation a été établie entre le réseau de liaisons H et le déplacement chimique 1H.
Book Description
Cette thèse a été centrée sur l’étude de phosphates de calcium en combinant la RMN en phase solide haute résolution multinucléaire (1H, 31P, 17O, 43Ca) et calculs ab initio, en tentant d’établir des corrélations entre paramètres RMN et structure. Les phosphates de calcium ont une importance considérable dans le domaine des biomatériaux car ils sont présents dans les os et les dents. La complexité chimique de ces composés fait de la RMN une technique de caractérisation attractive. Les résultats principaux concernent une très bonne corrélation entre les valeurs expérimentales et calculées pour trois des interactions RMN (CSA, quadripolaire et couplage J). Les calculs ab initio permettent ainsi d’attribuer sans ambigüité les signaux obtenus sur les spectres expérimentaux. Ces résultats permettent de relier la structure des matériaux avec les paramètres RMN. Par exemple, une corrélation a été établie entre le réseau de liaisons H et le déplacement chimique 1H.
Author: Agnes Buka Publisher: World Scientific ISBN: 1848167997 Category : Science Languages : en Pages : 299
Book Description
The book intends to give a state-of-the-art overview of flexoelectricity, a linear physical coupling between mechanical (orientational) deformations and electric polarization, which is specific to systems with orientational order, such as liquid crystals. Chapters written by experts in the field shed light on theoretical as well as experimental aspects of research carried out since the discovery of flexoelectricity. Besides a common macroscopic (continuum) description the microscopic theory of flexoelectricity is also addressed. Electro-optic effects due to or modified by flexoelectricity as well as various (direct and indirect) measurement methods are discussed. Special emphasis is given to the role of flexoelectricity in pattern-forming instabilities. While the main focus of the book lies in flexoelectricity in nematic liquid crystals, peculiarities of other mesophases (bent-core systems, cholesterics, and smectics) are also reviewed. Flexoelectricity has relevance to biological (living) systems and can also offer possibilities for technical applications. The basics of these two interdisciplinary fields are also summarized.
Author: Jean-Marie Basset Publisher: Wiley-VCH ISBN: 9783527319725 Category : Science Languages : en Pages : 725
Book Description
Covering everything from the basics to recent applications, this monograph represents an advanced overview of the field. Edited by internationally acclaimed experts respected throughout the community, the book is clearly divided into sections on fundamental and applied surface organometallic chemistry. Backed by numerous examples from the recent literature, this is a key reference for all chemists.
Author: Sebastian Oberthür Publisher: Springer Science & Business Media ISBN: 3662039257 Category : Science Languages : en Pages : 369
Book Description
The adoption of the Kyoto Protocol in December 1997 was a major achievement in the endeavour to tackle the problem of global climate change at the dawn of the 21st century. After many years of involvement in the negotiation process, the book's two internationally recognised authors now offer the international community a first hand and inside perspective of the debate on the Kyoto Protocol. The book provides a comprehensive scholarly analysis of the history and content of the Protocol itself as well as of the economic, political and legal implications of its implementation. It also presents a perspective for the further development of the climate regime. These important features make this book an indispensable working tool for policy makers, negotiators, academics and all those actively involved and interested in climate change issues in both the developed and developing world.
Author: CRAIG GRIMES Publisher: Springer Science & Business Media ISBN: 0387682384 Category : Technology & Engineering Languages : en Pages : 561
Book Description
This book covers the field of solar production of hydrogen by water photo-splitting (photoelectrolysis) using semiconductor photoanodes. The emphasis of the discussion is on the use of nanotechnology in the field. The theories behind photocatalysis and photoelectrochemical processes responsible for hydrogen production are given in detail. This provides a state-of-the-art review of the semiconductor materials and methods used for improving the efficiency of the processes. The book also gives an account of the techniques used for making the nanostructures.
Author: Tony Binns Publisher: ISBN: Category : History Languages : en Pages : 298
Book Description
A series of case studies revealing how the indigenous people of Africa are coping with the local environment by using a number of methods such as soil conservation, diversification, pastoral systems, irrigation projects and innovative crop-growing strategies.
Author: Jerome V. Moloney Publisher: Springer Science & Business Media ISBN: 9780387985817 Category : Business & Economics Languages : en Pages : 270
Book Description
Mathematical methods play a significant role in the rapidly growing field of nonlinear optical materials. This volume discusses a number of successful or promising contributions. The overall theme of this volume is twofold: (1) the challenges faced in computing and optimizing nonlinear optical material properties; and (2) the exploitation of these properties in important areas of application. These include the design of optical amplifiers and lasers, as well as novel optical switches. Research topics in this volume include how to exploit the magnetooptic effect, how to work with the nonlinear optical response of materials, how to predict laser-induced breakdown in efficient optical devices, and how to handle electron cloud distortion in femtosecond processes.
Author: I. Bezverkhyy Publisher: ISBN: 9783037853979 Category : Diffusion Languages : en Pages : 0
Book Description
The International Conference on Diffusion in Materials (DIMAT) is the benchmark conference series for diffusion in solids. DIMAT 2011 was organized by the University of Bourgogne in association with CNRS, Dijon (France). The conference showcased new results concerning theoretical tools as well as applied research approaches. Diffusion processes affect all types of materials: nanomaterials, materials for energy, metallurgy, glasses and ceramics, but each requires its own numerical tools.Volume is indexed by Thomson Reuters CPCI-S (WoS). This volume comprises most of the contributions presented at DIMAT 2011: 4 plenary lectures delivered by famous high-level scientists plus 88 contributions in the form of keynote lectures, talks and posters.
Author: David Adler Publisher: Springer Science & Business Media ISBN: 1489922601 Category : Science Languages : en Pages : 448
Book Description
The Institute for Amorphous Studies was founded in 1982 as the international center for the investigation of amorphous mate rials. It has since played an important role in promoting the und er standing of disordered matter in general. An Institute lecture series on "Fundamentals of Amorphous Materials and Devices" was held during 1982-83 with distinguished speakers from universities and industry. These events were free and open to the public ,and were attended by many representatives of the scientific community. The lectures themselves were highly successful inasmuch as they provided not only formal instruction but also an opportunity for vigorous and stimulating debate. That last element could not be captured within the pages of a book I but the lectures concentrated on the latest advances in the field I which is why their essential contents are he re reproduced in collective form. Together they constitute an interdisciplinary status report of the field. The speakers brought many different viewpoints and a variety of back ground experiences io bear on the problems involved I but though language and conventions vary I the essential unity of the concerns is very clear I as indeed are the ultimate benefits of the many-sided approach.
Author: Frédérique Pourpoint
Author: Frédérique Pourpoint
Author: Agnes Buka
Author: Jeffrey L. Star
Author: Jean-Marie Basset
Author: Sebastian Oberthür
Author: CRAIG GRIMES
Author: Tony Binns
Author: Jerome V. Moloney
Author: I. Bezverkhyy
Author: David Adler