Furthermore, the adsorption energy of the chlorobenzenes on the model cluster of the Pt14 unit cell was calculated using the molecular orbital method (DFT ...
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linkinghub.elsevier.com/retrieve/pii/S1381116906012556
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We have found that the so far accepted model with a 1ππ* → 3π/nσ* reaction .... An effusive molecular beam of chlorobenzene was produced in a two chamber ...
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linkinghub.elsevier.com/retrieve/pii/S0009261408003746
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chlorobenzene and 1-butanol, and the diffusivities of propene ..... develop and evaluate molecular models, help us to understand ...
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pubs.acs.org/doi/abs/10.1021/je00061a027
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Chlorobenzene-d5 was also purchased from Aldrich and was used as received. ..... model, C is given by where ds and d are the solvent and solute molecular ...
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pubs.acs.org/cgi-bin/jtext?jpcafh/104/i48/abs/jp002259+
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ment of the chlorobenzene PBPK model in rats is the first step toward future ..... constant is consistent with similar low-molecular-weight halogenated com- ...
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www.informaworld.com/index/43LR39FDLF3HQR1D.pdf
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Thus, the available experimental data resulted in the choice of the chlorobenzene molecule as a model for the explanation of the sources of intensity of the ...
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www.springerlink.com/index/K9JQV851UJ712V7K.pdf
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“A nonempirical anisotropic atom-atom model potential for chlorobenzene crystals”, ... The potential is largely derived from the charge densities of the molecules, using a distributed multipole electrostatic model and a transferable dispersion model derived from the molecular polarizabilities.
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www-day.ch.cam.ac.uk/papers/pub9abs.html
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Chlorobenzene - Wikipedia, the free encyclopedia
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Chlorobenzene is an aromatic organic compound with the chemical formula C 6 H 5 Cl. This colorless, flammable liquid is a common solvent and a widely used intermediate in the manufacture of other...
en.wikipedia.org/wiki/Chlorobenzene
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Abstract: A test bed for what we have termed a 3D Molecular Hyperglossary .... is a ball-and-stick model of chlorobenzene to establish the reference frame. ...
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www.ch.ic.ac.uk/rzepa/eccc2/
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