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Etude Des Proprietes Moleculaires Detat Fondamental Et Detats Excites Par Des Methodes Quantiques
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Book Synopsis Etude des propriétés moléculaires d'état fondamental et d'états excités par des méthodes quantiques by : Bernard Tinland
Download or read book Etude des propriétés moléculaires d'état fondamental et d'états excités par des méthodes quantiques written by Bernard Tinland and published by . This book was released on 1979 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: COMPARAISON DES DOMAINES D'UTILISATION PRIVILIGIEE ET DE FAIBLESSES DE DIFFERENTES METHODES QUANTIQUES (AB INITIO, FSGO, PCILO, CNDO/2, CNDO/S, INDO, PPP, HUECKEL GENERALISEE) POUR L'ETUDE 1) DES CONFORMATIONS, ROTATIONS INTERNES, MOMENTS DIPOLAIRES DE MOLECULES A L'ETAT FONDAMENTAL (COMPOSES MINERAUX ET ORGANIQUES), 2) DES CONFORMATIONS ET TRANSITIONS ELECTRONIQUES DE BIPHENYLE ET COMPOSES APPARENTES (DERIVES DE NAPHTALENE, NAPHTACENE, ETC.), 3) DU PHOTOCHROMISME D'UN SPIROGRAMME, DE DIHYDRO-1,2 QUINOLEINE, DIHYDRO-1,2 NAPHTALENE, SALICYLIDENE ANILINE, (DINITRO-2,4 BENZYL)-2 PYRIDENE, 4) DES ETATS EXCITES DE COMPOSES ORGANIQUES TRES VARIES, 5) DE LA REACTIVITE CHIMIQUE A L'AIDE DU MODELE A EXTENSION DE DELOCALISATION, 6) DE LA STRUCTURE ELECTRONIQUE DE COMPOSES BIOLOGIQUES POUR EN DEDUIRE DES RELATIONS STRUCTURE-ACTIVITE
Book Synopsis QUELQUES ETUDES THEORIQUES DE DYNAMIQUE D'ETATS EXCITES MOLECULAIRES by : MARCELO.. PESSOA DE MIRANDA
Download or read book QUELQUES ETUDES THEORIQUES DE DYNAMIQUE D'ETATS EXCITES MOLECULAIRES written by MARCELO.. PESSOA DE MIRANDA and published by . This book was released on 1995 with total page 183 pages. Available in PDF, EPUB and Kindle. Book excerpt: DANS CETTE THESE NOUS AVONS ETUDIE LA STRUCTURE ELECTRONIQUE ET LA DYNAMIQUE DE MOLECULES POLYATOMIQUES, EN PARTICULIER QUAND CELLES-CI SONT EXCITEES EN COUCHE INTERNE. NOUS AVONS UTILISE DES METHODES THEORIQUES, BASEES SUR LE CALCUL AB-INITIO DE LA STRUCTURE ELECTRONIQUE MOLECULAIRE ET SUR LA TECHNIQUE DES TRAJECTOIRES QUASI-CLASSIQUES, POUR ETUDIER L'EFFET-CAGE DANS LA PHOTODISSOCIATION DE I2-AR, LA STRUCTURE VIBRATIONNELLE DANS LES SPECTRES DE PHOTOABSORPTION EN COUCHE INTERNE DE MOLECULES POLYATOMIQUES ET LA DYNAMIQUE DE FRAGMENTATION DE N2O EXCITE EN COUCHE INTERNE. L'EFFET-CAGE DANS LA PHOTODISSOCIATION DE I2-AR A ETE ETUDIE AVEC LA METHODE DE TRAJECTOIRES QUASI-CLASSIQUES. LE BUT ETAIT DE TESTER LA SUGGESTION DE BURKE ET KLEMPERER DE QUE CET EFFET POURRAIT ETRE LE RESULTAT D'UN MECANISME DE TYPE BALISTIQUE A PARTIR D'UN ISOMERE LINEAIRE DU COMPLEXE DANS SON ETAT FONDAMENTAL. NOUS AVONS UTILISE LES METHODES SCF ET MP2 DE CALCUL AB-INITIO DE STRUCTURE ELECTRONIQUE DANS UNE ETUDE DE LA STRUCTURE VIBRATIONNELLE DANS LES SPECTRES DE PHOTOABSORPTION EN COUCHE INTERNE. NOUS AVONS DEVELOPPE UNE METHODE D'INTERPRETATION DE LA STRUCTURE VIBRATIONNELLE AYANT POUR BUT LE TRAITEMENT DES SPECTRES DE MOLECULES POLYATOMIQUES, ET NOUS L'AVONS APPLIQUEE A DES EXCITATIONS DU TYPE C1S VERS PI* DE L'ETHYLENE, DU 1-BUTENE, DE L'ACRYLONITRILE ET DU 1,3-BUTADIENE. LA STRUCTURE VIBRATIONNELLE A ETE ANALYSEE EN TERMES DE MODES NORMAUX DE VIBRATION. DANS LA DERNIERE PARTIE DE CE TRAVAIL, NOUS AVONS APPLIQUE NOS METHODES THEORIQUES A L'ETUDE DE LA DYNAMIQUE DE FRAGMENTATION DE N#2O EXCITE EN COUCHE INTERNE. NOUS AVONS CALCULE DES TRAJECTOIRES QUASI-CLASSIQUES POUR LES PROCESSUS D'ATOMISATION DE CETTE MOLECULE, EN METTANT L'ACCENT SUR LE ROLE DE L'ETAT EXCITE DANS LA DYNAMIQUE DE FRAGMENTATION. NOUS AVONS EXAMINE L'INFLUENCE DE CHANGEMENTS DE GEOMETRIE MOLECULAIRE (ENTRE L'ETAT FONDAMENTAL ET L'ETAT DE CUR) SUR LES SPECTRES DE MASSE PEPIPICO
Book Synopsis Recherche d'etats de transition et modelisation des etats excites dans les methodes hybrides mecanique quantique-mecanique moleculaire. Application a divers processus biologiques by : Kristofor Baka
Download or read book Recherche d'etats de transition et modelisation des etats excites dans les methodes hybrides mecanique quantique-mecanique moleculaire. Application a divers processus biologiques written by Kristofor Baka and published by . This book was released on 1997 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Développement et application de stratégies d'étude théorique de propriétés remarquables relatives aux états excités moléculaires by : Thibaud Etienne
Download or read book Développement et application de stratégies d'étude théorique de propriétés remarquables relatives aux états excités moléculaires written by Thibaud Etienne and published by . This book was released on 2015 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: L'exploitation de méthodes théoriques dans le cadre de la modélisation de propriétés moléculaires remarquables s'est substantiellement développée lors des dernières décennies, notamment grâce au progrès des technologies informatiques qui rendent désormais accessibles certaines informations cruciales à nos recherches grâce au calcul intensif. Il est maintenant possible d'évaluer des propriétés et de résoudre des problèmes théoriques de haut niveau grâce aux ressources calculatoires actuelles. Dans ce cadre, la caractérisation par la mécanique quantique des états excités moléculaires constitue toujours un défi d'une très grande richesse suscitant un intérêt accru de la communauté de physique moléculaire théorique et expérimentale. Cette qualité s'accompagne d'une grande complexité d'étude, conséquence du nombre de phénomènes physiques caractérisant l'accès d'un système à ses états excités. Notre contribution s'inscrit dans ce contexte, puisque les études dont ce document fait état sont relatives à la rationalisation du comportement de chromophores face à la capture d'un photon. Cette interaction entre la lumière et la matière est rapportée à l'échelle moléculaire et décrite dans nos travaux par des méthodes quantiques en vue de comprendre les mécanismes inhérents aux propriétés caractéristiques de composés-cibles. Ces interprétations sont appuyées par des développements théoriques visant l'établissement ou la consolidation des outils conceptuels et mathématiques constitutifs de nos stratégies théoriques d'investigation des états excités. Les développements qui font l'objet de ce document portent principalement sur l'interaction des chromophores avec leur vicinité moléculaire traitée implicitement ou explicitement dans le cadre d'une résolution géométrique du spectre d'absorption électronique, ainsi que sur une approche quantitative de la réorganisation de la structure électronique d'un composé induite par l'absorption d'un photon. Les applications sont quant à elles relatives à des chromophores présentant des propriétés remarquables : sonde solvatochromique, sonde à explosifs, chromophore interagissant avec l'ADN, composés intervenant dans la constitution de cellules solaires de troisième génération, clusters multichromophores.
Book Synopsis Quantum Mechanics, Volume 3 by : Claude Cohen-Tannoudji
Download or read book Quantum Mechanics, Volume 3 written by Claude Cohen-Tannoudji and published by John Wiley & Sons. This book was released on 2019-12-16 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new, third volume of Cohen-Tannoudji's groundbreaking textbook covers advanced topics of quantum mechanics such as uncorrelated and correlated identical particles, the quantum theory of the electromagnetic field, absorption, emission and scattering of photons by atoms, and quantum entanglement. Written in a didactically unrivalled manner, the textbook explains the fundamental concepts in seven chapters which are elaborated in accompanying complements that provide more detailed discussions, examples and applications. * Completing the success story: the third and final volume of the quantum mechanics textbook written by 1997 Nobel laureate Claude Cohen-Tannoudji and his colleagues Bernard Diu and Franck Laloë * As easily comprehensible as possible: all steps of the physical background and its mathematical representation are spelled out explicitly * Comprehensive: in addition to the fundamentals themselves, the books comes with a wealth of elaborately explained examples and applications Claude Cohen-Tannoudji was a researcher at the Kastler-Brossel laboratory of the Ecole Normale Supérieure in Paris where he also studied and received his PhD in 1962. In 1973 he became Professor of atomic and molecular physics at the Collège des France. His main research interests were optical pumping, quantum optics and atom-photon interactions. In 1997, Claude Cohen-Tannoudji, together with Steven Chu and William D. Phillips, was awarded the Nobel Prize in Physics for his research on laser cooling and trapping of neutral atoms. Bernard Diu was Professor at the Denis Diderot University (Paris VII). He was engaged in research at the Laboratory of Theoretical Physics and High Energy where his focus was on strong interactions physics and statistical mechanics. Franck Laloë was a researcher at the Kastler-Brossel laboratory of the Ecole Normale Supérieure in Paris. His first assignment was with the University of Paris VI before he was appointed to the CNRS, the French National Research Center. His research was focused on optical pumping, statistical mechanics of quantum gases, musical acoustics and the foundations of quantum mechanics.
Download or read book ICREEC 2019 written by Ahmed Belasri and published by Springer Nature. This book was released on 2020-06-10 with total page 659 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights peer reviewed articles from the 1st International Conference on Renewable Energy and Energy Conversion, ICREEC 2019, held at Oran in Algeria. It presents recent advances, brings together researchers and professionals in the area and presents a platform to exchange ideas and establish opportunities for a sustainable future. Topics covered in this proceedings, but not limited to, are photovoltaic systems, bioenergy, laser and plasma technology, fluid and flow for energy, software for energy and impact of energy on the environment.
Book Synopsis Your Mindful Compass by : Andrea Maloney Schara
Download or read book Your Mindful Compass written by Andrea Maloney Schara and published by . This book was released on 2013-12-01 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Your Mindful Compass" takes us behind the emotional curtain to see the mechanisms regulating individuals in social systems. There is great comfort and wisdom in knowing we can increase our awareness to manage the swift and ancient mechanisms of social control. We can gain greater flexibility by seeing how social controls work in systems from ants to humans. To be less controlled by others, we learn how emotional systems influence our relationship-oriented brain. People want to know what goes on in families that give rise to amazing leaders and/or terrorists. For the first time in history we can understand the systems in which we live. The social sciences have been accumulating knowledge since the early fifties as to how we are regulated by others. S. Milgram, S. Ashe, P. Zimbardo and J. Calhoun, detail the vulnerability to being duped and deceived and the difficulty of cooperating when values differ. Murray Bowen, M.D., the first researcher to observe several live-in families, for up to three years, at the National Institute of Mental Health. Describing how family members overly influence one another and distribute stress unevenly, Bowen described both how symptoms and family leaders emerge in highly stressed families. Our brain is not organized to automatically perceive that each family has an emotional system, fine-tuned by evolution and "valuing" its survival as a whole, as much as the survival of any individual. It is easier to see this emotional system function in ants or mice but not in humans. The emotional system is organized to snooker us humans: encouraging us to take sides, run away from others, to pressure others, to get sick, to blame others, and to have great difficulty in seeing our part in problems. It is hard to see that we become anxious, stressed out and even that we are difficult to deal with. But "thinking systems" can open the doors of perception, allowing us to experience the world in a different way. This book offers both coaching ideas and stories from leaders as to strategies to break out from social control by de-triangling, using paradoxes, reversals and other types of interruptions of highly linked emotional processes. Time is needed to think clearly about the automatic nature of the two against one triangle. Time and experience is required as we learn strategies to put two people together and get self outside the control of the system. In addition, it takes time to clarify and define one's principles, to know what "I" will or will not do and to be able to take a stand with others with whom we are very involved. The good news is that systems' thinking is possible for anyone. It is always possible for an individual to understand feelings and to integrate them with their more rational brains. In so doing, an individual increases his or her ability to communicate despite misunderstandings or even rejection from important others. The effort involved in creating your Mindful Compass enables us to perceive the relationship system without experiencing it's threats. The four points on the Mindful Compass are: 1) Action for Self, 2) Resistance to Forward Progress, 3) Knowledge of Social Systems and the 4) The Ability to Stand Alone. Each gives us a view of the process one enters when making an effort to define a self and build an emotional backbone. It is not easy to find our way through the social jungle. The ability to know emotional systems well enough to take a position for self and to become more differentiated is part of the natural way humans cope with pressure. Now people can use available knowledge to build an emotional backbone, by thoughtfully altering their part in the relationship system. No one knows how far one can go by making an effort to be more of a self-defined individual in relationships to others. Through increasing emotional maturity, we can find greater individual freedom at the same time that we increase our ability to cooperate and to be close to others.
Download or read book Canadian Journal of Chemistry written by and published by . This book was released on 1996 with total page 700 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis George W. Series Memorial Essays by : Alan Corney
Download or read book George W. Series Memorial Essays written by Alan Corney and published by . This book was released on 1997 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis A Primer in Density Functional Theory by : Carlos Fiolhais
Download or read book A Primer in Density Functional Theory written by Carlos Fiolhais and published by Springer Science & Business Media. This book was released on 2003-06-11 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.
Book Synopsis Complexity Theory and the Philosophy of Education by : Mark Mason
Download or read book Complexity Theory and the Philosophy of Education written by Mark Mason and published by John Wiley & Sons. This book was released on 2009-02-23 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: A collection of scholarly essays, Complexity Theory and thePhilosophy of Education provides an accessible theoreticalintroduction to the topic of complexity theory while consideringits broader implications for educational change. Explains the contributions of complexity theory to philosophyof education, curriculum, and educational research Brings together new research by an international team ofcontributors Debates issues ranging from the culture of curriculum, to theimplications of work of key philosophers such as Foucault and JohnDewey for educational change Demonstrates how social scientists and social and educationpolicy makers are drawing on complexity theory to answer questionssuch as: why is it that education decision-makers are so resistantto change; how does change in education happen; and what does ittake to make these changes sustainable? Considers changes in use of complexity theory; developedprincipally in the fields of physics, biology, chemistry, andeconomics, and now being applied more broadly to the socialsciences and to the study of education
Book Synopsis Quantum Classical Correspondence by : Bei-Lok Hu
Download or read book Quantum Classical Correspondence written by Bei-Lok Hu and published by International Press of Boston. This book was released on 1997 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since 1988, a series of conferences held at Drexel University provided a forum on quantum chaos and related topics. The fourth conference, the proceedings of which are recorded here, broadens that theme to the unifying question of quantum classical correspondence.
Book Synopsis Organic Solid-State Lasers by : Sébastien Forget
Download or read book Organic Solid-State Lasers written by Sébastien Forget and published by Springer. This book was released on 2013-07-03 with total page 179 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic lasers are broadly tunable coherent sources, potentially compact, convenient and manufactured at low-costs. Appeared in the mid 60’s as solid-state alternatives for liquid dye lasers, they recently gained a new dimension after the demonstration of organic semiconductor lasers in the 90's. More recently, new perspectives appeared at the nanoscale, with organic polariton and surface plasmon lasers. After a brief reminder to laser physics, a first chapter exposes what makes organic solid-state organic lasers specific. The laser architectures used in organic lasers are then reviewed, with a state-of-the-art review of the performances of devices with regard to output power, threshold, lifetime, beam quality etc. A survey of the recent trends in the field is given, highlighting the latest developments with a special focus on the challenges remaining for achieving direct electrical pumping of organic semiconductor lasers. A last chapter covers the applications of organic solid-state lasers.
Author :University Joseph Fourier Publisher :Springer Science & Business Media ISBN 13 :1402072228 Total Pages :1247 pages Book Rating :4.4/5 (2 download)
Book Synopsis Magnetism by : University Joseph Fourier
Download or read book Magnetism written by University Joseph Fourier and published by Springer Science & Business Media. This book was released on 2002-10-31 with total page 1247 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book begins with a phenomenological treatment of magnetism, introducing magnetic effects at the atomic, mesoscopic and macroscopic levels. This is followed by a section on atomic aspects of magnetism, and finally a presentation of magneto-caloric, magneto-elastic, magneto-optical and magneto-transport coupling effects.
Book Synopsis Flexoelectricity in Liquid Crystals by : Agnes Buka
Download or read book Flexoelectricity in Liquid Crystals written by Agnes Buka and published by World Scientific. This book was released on 2013 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis An Introduction to Differential Manifolds by : Jacques Lafontaine
Download or read book An Introduction to Differential Manifolds written by Jacques Lafontaine and published by Springer. This book was released on 2015-07-29 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an introduction to differential manifolds. It gives solid preliminaries for more advanced topics: Riemannian manifolds, differential topology, Lie theory. It presupposes little background: the reader is only expected to master basic differential calculus, and a little point-set topology. The book covers the main topics of differential geometry: manifolds, tangent space, vector fields, differential forms, Lie groups, and a few more sophisticated topics such as de Rham cohomology, degree theory and the Gauss-Bonnet theorem for surfaces. Its ambition is to give solid foundations. In particular, the introduction of “abstract” notions such as manifolds or differential forms is motivated via questions and examples from mathematics or theoretical physics. More than 150 exercises, some of them easy and classical, some others more sophisticated, will help the beginner as well as the more expert reader. Solutions are provided for most of them. The book should be of interest to various readers: undergraduate and graduate students for a first contact to differential manifolds, mathematicians from other fields and physicists who wish to acquire some feeling about this beautiful theory. The original French text Introduction aux variétés différentielles has been a best-seller in its category in France for many years. Jacques Lafontaine was successively assistant Professor at Paris Diderot University and Professor at the University of Montpellier, where he is presently emeritus. His main research interests are Riemannian and pseudo-Riemannian geometry, including some aspects of mathematical relativity. Besides his personal research articles, he was involved in several textbooks and research monographs.
Download or read book Aeronomy written by P. M. Banks and published by Elsevier. This book was released on 2013-09-24 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aeronomy, Part A is an attempt to make a comprehensive exposition of the processes in aeronomy, the study of composition, movement, and thermal balance of the upper regions of the planetary atmosphere. The text covers topics such as atmospheric regions and atmospheric density, the temperature and molecular mass of the atmosphere; the permanent constituents and the molecular and isotonic composition of the homosphere; and the transition from the homosphere to the heterosphere. Also covered are topics such as the temperature gradient and energies in the thermosphere, conditions at 200km and above 250km, solar radiation and ionization, and aeronomic reactions. The book is recommended for scientists, especially natural physicists, who would like to know more about the field of aeronomy and its advances.
