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This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied. Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.

Hamiltonian systems. --- Numerical analysis. --- Mathematical analysis --- Hamiltonian dynamical systems --- Systems, Hamiltonian --- Differentiable dynamical systems --- Chemistry. --- Chemistry, Physical organic. --- Theoretical and Computational Chemistry. --- Physical Chemistry. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Physical sciences --- Chemistry, Physical and theoretical. --- Physical chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry

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This thesis deals with strongly luminescent lanthanide complexes having novel coordination structures. Luminescent lanthanide complexes are promising candidates as active materials for EL devices, lasers, and bio-sensing applications. The organic ligands in lanthanide complexes control geometrical and vibrational frequency structures that are closely related to the luminescent properties. In most of the previous work, however, lanthanide complexes have high-vibrational frequency C–H units close to the metal center for radiationless transition. In this thesis, the luminescent properties of lanthanide complexes with low-vibrational frequency C–F and P=O units are elucidated in terms of geometrical, vibrational, and chemical structures. The author also describes lanthanide coordination polymers with both high thermal stability (decomposition point > 300°C) and strong-luminescent properties (emission quantum yield > 80%). The author believes that novel studies on the characteristic structures and photophysical properties of lanthanide complexes may open up a frontier field in photophysical, coordination and material chemistry.

Rare earth metals. --- Lanthanide series --- Lanthanides --- Lanthanoid series --- Lanthanons --- Rare earth elements --- Nonferrous metals --- Chemistry, inorganic. --- Optical materials. --- Chemistry, Physical organic. --- Inorganic Chemistry. --- Optical and Electronic Materials. --- Physical Chemistry. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Inorganic chemistry --- Chemistry --- Inorganic compounds --- Optics --- Materials --- Inorganic chemistry. --- Electronic materials. --- Physical chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Electronic materials

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Christian George, Barbara D’Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.

Chemistry. --- Chemistry, Physical organic. --- Physical Chemistry. --- Atmospheric Sciences. --- Geophysics and Environmental Physics. --- Chemistry --- Physical Sciences & Mathematics --- Physical & Theoretical Chemistry --- Chemistry, Physical organic --- Physical chemistry. --- Atmospheric sciences. --- Geophysics. --- Atmospheric chemistry. --- Atmospheric aerosols --- Measurement. --- Aerosols --- Atmospheric chemistry --- Chemistry, Physical and theoretical --- Atmospheric science --- Chemistry, Organic --- Geological physics --- Terrestrial physics --- Earth sciences --- Physics --- Atmospheric sciences --- Atmosphere --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry

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This book presents  a comprehensive description of phonons and their interactions in systems with different dimensions and length scales. Internationally-recognized leaders describe theories and measurements of phonon interactions  in relation to the design of materials with exotic properties such as metamaterials, nano-mechanical systems, next-generation electronic, photonic, and acoustic devices, energy harvesting, optical information storage, and applications of phonon lasers in a variety of fields. The emergence of techniques for control of semiconductor properties and geometry has enabled engineers to design structures in which functionality is derived from controlling electron behavior. As manufacturing techniques have greatly expanded the list of available materials and the range of attainable length scales, similar opportunities now exist for designing devices whose functionality is derived from controlling phonon behavior. However, progress in this area is hampered by gaps in our knowledge of phonon transport across and along arbitrary interfaces, the scattering of phonons with crystal defects, interface roughness and mass-mixing, delocalized electrons/collective electronic excitations, and solid acoustic vibrations when these occur in structures with small physical dimensions. This book provides a comprehensive description of phonons and their interactions in systems with different dimensions and length scales. Theories and measurements of phonon interactions are described in relation to the design of materials with exotic properties such as metamaterials, nano-mechanical systems, next-generation electronic, photonic, and acoustic devices, energy harvesting, optical information storage, and applications of phonon lasers in a variety of fields. First book to cover phonon dispersion relations and phonon interactions at different length scales Discusses both theory and measurements of phonon transport and its relevance to materials properties Describes next- generation device designs from both the physics and the performance points of view Explores the science underlying nanoelectronics and nanomechanics.

Phonons. --- Physics. --- Physical chemistry. --- Solid state physics. --- Nanotechnology. --- Solid State Physics. --- Nanotechnology and Microengineering. --- Physical Chemistry. --- Quasiparticles (Physics) --- Lattice dynamics --- Engineering. --- Chemistry, Physical organic. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Construction --- Industrial arts --- Technology --- Molecular technology --- Nanoscale technology --- High technology --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Physics --- Solids

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The second edition of "The Chemistry of the Superheavy Elements" provides a complete coverage of the chemistry of a series of elements beginning with atomic number 104 – the transactinides or superheavy elements – including their nuclear properties and production in nuclear reactions at heavy-ion accelerators. The contributors to this work include many renowned scientists who, during the last decades, have made vast contributions towards understanding the physics and chemistry of these elusive elements, both experimentally and theoretically. The main emphasis here is on demonstrating the fascinating studies involved in probing the architecture of the Periodic Table at its uppermost end, where relativistic effects drastically influence chemical properties. All known chemical properties of these elements are described together with the experimental techniques applied to study these short-lived man-made elements one atom-at-a-time. The status of theoretical chemistry and of empirical models is presented as well as aspects of nuclear physics. In addition, one chapter outlines the meanderings in this field from a historical perspective and the search for superheavy elements in Nature.

Chemistry. --- Nuclear chemistry. --- Nuclear physics. --- Physical organic chemistry. --- Chemistry, Nuclear --- Chemistry, Physical organic --- Atomic nuclei --- Atoms, Nuclei of --- Nucleus of the atom --- Physical chemistry. --- Heavy ions. --- Hadrons. --- Nuclear Chemistry. --- Nuclear Physics, Heavy Ions, Hadrons. --- Physical Chemistry. --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Physical sciences --- Physics --- Chemistry, Physical organic. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Ions --- Superheavy elements.