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Materials sciences --- Molecular physics --- 530.145 --- 539.194 --- Density functionals --- Electronic structure --- Quantum chemistry --- #WSCH:AAS2 --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Structure, Electronic --- Atomic structure --- Energy-band theory of solids --- Density functional methods --- Density functional theory --- Functional methods, Density --- Functionals, Density --- Functional analysis --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Density functionals. --- Electronic structure. --- Quantum chemistry. --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 530.145 Quantum theory --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc

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The present book describes a large variety of different types of chain systems (nanowires), including shorter chains that are artificially produced for instance in break-junction experiments, chains synthesized as guests inside the channels of a host crystal, crystalline chain compounds, organic polymers (synthetic metals), and charge-transfer salts, thus covering an unusual wealth of systems. Both experimental and theoretical studies are discussed. Particular emphasis is put on illustrating the special phenomena that occur in such quasi-one-dimensional systems, and how theoretical and experim

Metals --- Nanowires. --- Chemistry, Physical and theoretical. --- Physical metallurgy. --- Microstructure. --- Metallurgy --- Physics --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Atomic wires --- Molecular wires --- Quantum wires --- Subnanoscale wires --- Electric wire --- Nanostructured materials --- Physical metallurgy

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For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.

Chemistry. --- Theoretical and Computational Chemistry. --- Optics and Electrodynamics. --- Nanotechnology. --- Protein Science. --- Biochemistry. --- Chimie --- Biochimie --- Nanotechnologie --- Chemistry --- Physical Sciences & Mathematics --- Physical & Theoretical Chemistry --- Nonlinear optics. --- Optics, Nonlinear --- Chemistry, Physical and theoretical. --- Proteins. --- Optics. --- Electrodynamics. --- Molecular technology --- Nanoscale technology --- High technology --- Dynamics --- Physics --- Light --- Proteids --- Biomolecules --- Polypeptides --- Proteomics --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Physical sciences --- Optics --- Lasers --- Classical Electrodynamics. --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Biology --- Medical sciences --- Composition --- Proteins .

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Progress in Physical Chemistry is a collection of recent "Review Articles" published in the "Zeitschrift für Physikalische Chemie". The aim of a "Review article" is to give a profound survey on a special topic outlining the history, development, state of the art and future research. Collecting these articles the Editors of Zeitschrift für Physikalische Chemie intend to counteract the expanding flood of papers and thereby give students and researchers a means to obtain fundamental knowledge on their special interest. The second volume of Progress in Physical Chemistry is a collection of thematically closely related minireview articles written by the members of the Collaborative Research Centre (SFB) 277 of the German Research Foundation (DFG). These articles are based on twelve years of intense coordinated research efforts. Central topics are the synthesis and the characterization of interface-dominated, i.e. nanostructured materials, mainly in the solid state but also as nanoparticles / nanorods in liquid dispersion (ferrofluids) or as gas / liquid in mesoporous host systems (thermodynamics in confinement). For the synthesis physical vapour deposition (PVD), chemical vapour deposition (CVD), electrochemistry, and various sol-gel and microemulsion routes are employed. For the characterization a broad spectrum of methods from physics, materials science and physical chemistry is used, like scattering methods, nuclear hyperfine interaction methods and different types of scanning probe microscopy. The correlation between, on the one hand, the nanostructure and, on the other hand, the thermodynamics, the magnetic and mechanical properties specific to the nanometre scale as well as the theoretical modelling of the same are in the focus of the scientific interest.

Interfaces (Physical sciences) --- Surface chemistry --- Surfaces (Physics)