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A Chemist's guide to density functional theory, 2nd edition / par Koch, Wolfram. Publication : [S.l.] : Wiley-VCH, 2001 . 528 p. ; , "Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!" Paul von Ragué Schleyer "A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practitioners who aim to use DFT to solve chemical problems." J. F. Stanton, J. Am. Chem. Soc. "The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably." P. C. H. Mitchell, Appl. Organomet. Chem. "The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems." M. Kaupp, Angew. Chem. 24 cm. Date : 2001 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (2),

Analytical ultracentrifugation vii. / par Lechner,, Manfred D. Publication : [S.l.] : Springer, 2004 . 161 p. ; , This volume includes 19 contributions to the 13th International Symposium on Analytical Ultracentrifugation which took place at the university of Osnabrþck on March 6th and 7th, 2003. The contributions from leading scientists cover a broad spectrum of topics concerning Technical Methods, Data Analysis, Innovations Polymers, Colloids, Supramolecular Systems Biological and Interaction Systems Hydrodynamics and Modelling Due to the increasing significance of Analytical Ultracentrifugation for both scientific and technical applications, this book will be an essential source of information with respect to recent developments and results related to this important analytical method. 28 cm. Date : 2004 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Characterization ii / par Karge,, Hellmut G. Publication : [S.l.] : Springer, 2007 . 525 p. ; , Molecular Sieves - Science and Technology covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. Authored by renowned experts, the contributions to this handbook-like series are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 5 complements Volume 4 (Characterization I) in that it is devoted to the characterization of molecular sieves by a variety of non-spectroscopic techniques (Characterization II). Thus, Volume 5 comprises Chemical Analysis, Thermal Analysis, Pore-Size Characterization by Molecular Probes, Characterization by 129Xe NMR, Coke Characterization, Synthesis and Characterization of Isomorphously Substituted Molecular Sieves. 24 cm. Date : 2007 Disponibilité : Exemplaires disponibles: La bibliothèque des sciences de l'ingénieur (1),

Damped wave transport and relaxation / par Sharma,, Kal Renganathan. Publication : [S.l.] : Elsevier Science, 2005 . 462 p. ; , Transient problems in transport phenomena have a variety of applications, ranging from drug delivery systems in chemotherapy in bioengineering to heat transfer to surfaces in fluidized bed combustion (FBC) boilers in mechanical engineering. However, the attention given to transient problems is disproportionate with its occurrence in the industry. Damped Wave Transport and Relaxation looks at transient problems in heat, mass and momentum transfer: including non-Fourier effects of conduction and relaxation; non-Fick effects of mass diffusion and relaxation; and non-Newtonian effects of viscous momentum transfer and relaxation. The author also reviews applications to current problems of interest and uses worked examples and illustrations to describe the manifestations of using generalized transport equations. This book is intended for graduate students in transport phenomena and is an ideal reference source for industrial engineers. * Provides a connection with molecular phenomena * Separate sections are devoted to heat, mass and momentum transfer * Includes exercises and examples of applications. 25 cm. Date : 2005 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Defect and microstructure analysis by diffraction / par Snyder,, Robert L. Publication : [S.l.] : Oxford University Press, USA, 2000 . 808 p. ; , This book reviews the state of the art for determining the real structure of crystals, taking into account the irregularities and defects that work their way into all crystal arrangements. Understanding these defects is crucial for continued progress in developing new materials. 24 cm. Date : 2000 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Elementary quantum chemistry, second edition / par Pilar,, Frank L. Publication : [S.l.] : Dover Publications, 2001 . 599 p. ; , Useful introductory course covers origins of quantum theory, Schrƴdinger wave equation, quantum mechanics of simple systems, electron spin and many-electron systems, the quantum states of atoms, the Hartree-Fock self-consistent field method, the electronic structure of molecules, semiempirical molecular orbital methods, more. Appendices. Indexes. 23 cm. Date : 2001 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Fluid mechanics and thermodynamics of turbomachinery, fifth edition / par Ph.D.,, S.L. Dixon B.Eng. Publication : [S.l.] : Butterworth-Heinemann, 2005 . 412 p. ; , The fifth edition of this text will continue to be of use to engineers in industry and technological establishments, especially as brief reviews are included on many important aspects of Turbomachinery, giving pointers towards more advanced sources of information. For those looking towards the wider reaches of the subject area, very useful additional reading is referenced in the bibliography. The subject of Turbomachinery is in continual review, and while the basics do not change, research can lead to refinements in popular methods, and new data can emerge. This book has applications for professionals and students in many subsets of the mechanical engineering discipline, with carryover into thermal sciences; which include fluid mechanics, combustion and heat transfer; dynamics and vibrations, as well as structural mechanics and materials engineering. * An important, long overdue new chapter on Wind Turbines, with a focus on blade aerodynamics, with useful worked examples * Includes important material on axial flow compressors and pumps * Example questions and answers throughout and an available Solutions Manual. 23 cm. Date : 2005 Disponibilité : Exemplaires disponibles: La bibliothèque des sciences de l'ingénieur (1),

Fundamentals of interface and colloid science solid-liquid interfaces Volume II : par Lyklema, J. Publication : [S.l.] Academic Press Inc 1995 . 768 p. 25 cm. Date : 1995 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Group theory with applications in chemical physics / par Jacobs, P. W. M. Publication : [S.l.] : Cambridge University Press, 2005 . 506 p. ; , Relié. 25 cm. Date : 2005 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Heat and mass transfer / par Baehr, Hans D. Publication : [S.l.] : Springer-Verlag Berlin and Heidelberg GmbH & Co. K, 2006 . 22 p. ; , Relié. 25 cm. Date : 2006 Disponibilité : Exemplaires disponibles: La bibliothèque des sciences de l'ingénieur (1),

Interfaces in crystalline materials / par Sutton, A.P. Publication : [S.l.] : Oxford University Press, USA, 2007 . 856 p. ; , Aimed at graduate students and researchers, this book provides a comprehensive study of interfaces within and between materials, a central concern to all materials scientists. It is comprised of four parts, covering the structure, thermodynamics, kinetics, and properties of interfaces in crystalline materials. Emphasis throughout is on conceptual foundations through the exposition of simple models and descriptions of key experimental observations. The reader is taken through the foundations to the forefront of current research by two of the leading researchers in the area. Due to high levels of demand for use as a textbook, the original edition-- published in 1995-- has been reprinted and reissued with a less expensive hardcover binding. 24 cm. Date : 2007 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Mass spectrometry : a textbook / par Gross,, Jurgen. Publication : [S.l.] : Springer, 2004 . 518 p. ; , This book is tailored for students and professionals as well as novices from other fields to mass spectrometry, an indispensable tool in chemistry and life sciences. It will guide them from the basics to the successful application of mass spectrometry in their daily research. Starting from the very principles of gas-phase ion chemistry and isotopic properties, it leads through the design of mass analyzers and ionization methods in use to mass spectral interpretation and coupling techniques. Step by step the readers will learn how mass spectrometry works and what it can do as a powerful tool in their hands. The book comprises a balanced mixture of practice-oriented information and theoretical background. The clear layout, a wealth of high-quality figures and a database of exercises and solutions, accessible via the publisher?s web site, support teaching and learning. 24 cm. Date : 2004 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Molecular light scattering and optical activity / par Barron,, Laurence D. Publication : [S.l.] : Cambridge University Press, 2004 . 443 p. ; , Ranging from the physics of elementary particles to the structure of viruses, the subject matter of this book stresses the importance of optical activity and chirality in modern science and will be of interest to a wide range of scientists. Using classical and quantum methods with a strong emphasis on symmetry principles, the volume develops the theory of varied optical activity and related phenomena from the perspective of molecular scattering of polarized light. First Edition Hb (1983): 0-521-24602-4. 25 cm. Date : 2004 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Physical chemistry of polymer rheology / par Furukawa, Junji. Publication : [S.l.] : Springer, 2003 . 280 p. ; , Rheology is the science and technology that deals with the deformation of polymeric or plastic materials. In this monograph the field of polymer rheology is explained with emphasis on the chemical theory. The book provides basic information on rheology for nonspecialists and gives clear explanations of the various phenomena. The author has developed a new theory of thermodynamics and kinetics using a model of multi-size pseudo crosslinks that provides a comprehensive principle to show how links in chain molecules affect the melting temperatures and determine polymer properties such as viscoelasticity, melt viscosity and elastic and plastic behaviour of bulk polymers. The theory can be extended to include the strength of rubber and plastics, active fillers and adhesion, friction and abrasion. 24 cm. Date : 2003 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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