An inversion method for the determination of the internal structure of latex particles from fluorescence nonradiative energy transfer experiment

Article Abstract:

The internal structure of core-shell latex particles has been determined from fluorescence nonradiative energy transfer between a donor and an acceptor chemically bonded to the polymer chains. An inversion method based on the assumption that the polymer chains are radially distributed inside the particles was utilized for the fluorescence nonradiative energy transfer experiment. The distributions of the polymer labeled with the acceptor and the acceptor were directly derived from the analysis of the fluorescence decay curve of the donor.

Polymers, Fluorescence, Energy transfer, Surface chemistry, Electron-electron interactions, Latex

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Semiempirical (ZINDO-PCM) approach to predict the radiative and nonradiative decay rates of a molecule close to metal particles

Article Abstract:

The extension of the previously developed model is presented to treat the effect of a metal particle on the optical properties of a molecule in solution in the framework of the polarizable continuum model (PCM). The Zermer's intermediate neglect of differential overlap (ZINDO) method is not only useful as a tool to directly calculate radiative and nonradiative rates for molecules close to metal particle, but also provides quantities that cannot be measured trivially.

Optical properties, Metal bonding, Molecules, Excited state chemistry

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Predicting thermodynamic properties with a novel semiempirical topological descriptor and path numbers

Article Abstract:

A novel semiempirical topological descriptor Nt which encodes information on the molecular mass, structure, and intermolecular interactions that are crucial ingredients for modeling thermodynamic properties is presented. Nt could be applied in the field of quantitative structure-property relationship (QSPR).

Analysis, Usage, Thermodynamics, Genetic code

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