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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),

Density-functional theory of atoms and molecules / par Parr, Robert G. Publication : [S.l.] : Oxford University Press Inc, 1994 . 352 p. ; , Broché. 23 cm. Date : 1994 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Juridiques, Economiques et de Gestion (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),

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),

International tables for crystallography, symmetry relations between space groups.   Publication : [S.l.] : Wiley, 2004 . 744 p. ; , This volume presents a systematic treatment of the maximal subgroups and minimal supergroups of the crystallographic plane groups and space groups. It is an extension of and a supplement to Volume A, Space-group symmetry, in which only basic data for sub- and supergroups are provided. Group-subgroup relations, apart from their theoretical interest, are the basis of a number of important applications in crystallographic research: (1) In solid-state phase transitions there often exists a group-subgroup relation between the symmetry groups of the two phases. According to Landau theory, this is in fact mandatory for displacive (continuous, second-order) phase transitions. Group-subgroup relations are also indispensable in cases where the symmetry groups of the two phases are not directly related but share a common subgroup or supergroup. (2) Group-subgroup relations provide a concise and powerful tool for revealing and elucidating relations between crystal structures. They can thus help to keep up with the ever-increasing amount of crystal-structure data. Their application requires knowledge of the relations of the Wyckoff positions of group-subgroup related structures. (3) Group-subgroup relations are of great importance in the study of twinned crystals, domain structures and domain boundaries. (4) These relations can even help to identify errors in space-group assignment and crystal-structure determination. (5) Subgroups of space groups provide a valuable approach to teaching crystallographic symmetry. Volume A1 consists of three parts: Part 1 presents an introduction to the theory of space groups at various levels and with many examples. It includes a chapter on the mathematical theory of subgroups. Part 2 gives for each plane group and space group a complete listing of all maximal subgroups and minimal supergroups. The treatment includes the generators of each subgroup as well as any necessary changes of the coordinate system. Maximal isomorphic subgroups are given in parameterized form as infinite series because of the infinite number for each group. A special feature of the presentation is graphs that illustrate the group-subgroup relations. Part 3 lists the relations between the Wyckoff positions of every space group and its subgroups. Again, the infinite number of maximal isomorphic subgroups of each space group are covered by parameterized series. These data for Wyckoff positions are presented here for the first time. Audience: The volume is a valuable addition to the library of scientists engaged in crystal-structure determination, crystal physics or crystal chemistry. It is essential for those interested in phase transitions, the systematic compilation of crystal structures, twinning phenomena and related fields of crystallographic research. 31 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),

Semiconductor surfaces and interfaces / par Mƴnch,, Winfried. Publication : [S.l.] : Springer, 2001 . 500 p. ; , Text dealing with the structural and electronic properties of semiconductor surfaces and interfaces, completely updated and revised from the previous edition. Includes an extensive discussion of the band lineup and semiconductor interfaces, with the continuum of interface-induced gap states as the unifying concept. Previous edition not cited. 25 cm. Date : 2001 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

Solids and surfaces : a chemist's view of bonding in extended structures / par Hoffmann, Roald. Publication : [S.l.] : Wiley-VCH, 1989 . 152 p. ; , This unique book shows how chemistry and physics come together in the solid state and on surfaces. Using a lively, graphic, descriptive approach, it teaches chemists the language that is necessary to understand the electronic structure of extended systems. And, at the same time, it demonstrates how a chemical, frontier-orbital, approach to solid state and surface bonding and reactivity may be constructed. The book begins with the language of crystal orbitals, band structures and densities of states. The tools for moving back from the highly delocalized orbitals of the solid are then built up in a transparent manner; they include decompositions of the densities of states and crystal orbital overlap populations. Using these tools, the book shapes a meeting ground between detailed quantum mechanical calculations and a chemical frontier orbital perspec- tive. Applications include a general picture of chemisorption, bond-breaking and making in the solid state, bonding in metals, the electronic structure of selected conducting and supercon- ducting structures, dissociation, migration and coupling on surfaces and the forces controlling deformation of extended systems. 22 cm. Date : 1989 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (2),

Theory of chemical reaction dynamics.   Publication : [S.l.] : Springer, 2004 . 504 p. ; , The theoretical treatment of chemical reaction dynamics has undergone spectacular development during the last few years, prompted by experimental progress. Beam production, spectroscopic detection using high resolution, polarized lasers allowing energy and angular momentum selection, etc. have advanced so much that the experiments now offer detailed scattering information for theory to explain and rationalize. At the same time, advances in computing and networking technologies for heteregeneous and grid environments afford new possibilities for theoretical studies of chemical reactivity. As a consequence, calculation of atom+diatom reactions has become routine, accurate methods have been developed to describe reactions in tetra-atomic systems, nonadiabatic reactions are being studied in simultaneous experimental and theoretical efforts, and statistical theories of unimolecular reaction dynamics are applied to systems that were a mystery a few years ago. The book represents a snapshot of the current status of research in reaction dynamics, focusing especially on accurate time-dependent and time-independent methods of quantum scattering, treatment of non-adiabatic processes, studies of associative and inelastic collisions, calculation of potential surfaces. 24 cm. Date : 2004 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),
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