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• W2085386089 abstract "The isomeric effects on the adsorption geometry of di-halobenzene ( C 6 H 4 X 2 ; X = F, Cl, Br, I ) and pentacene ( C 22 H 14 ) on the idealized non-interacting substrate are analyzed both qualitatively and quantitatively by means of Monte Carlo simulations. The shape of pentacene isomers and the relative positions of halogen atoms in di-halobenzene may be important in determination of the favored adsorption geometry, contributing to the thermodynamic and chemical factors affecting the determination of the adsorbate geometry for these system. These simple methods may be applied to any planar molecules to quantify the contributions to the adsorption geometry that arises solely from the topological or geometrical isomeric differences in the molecules of interest." @default.
• W2085386089 created "2016-06-24" @default.
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• W2085386089 date "2012-04-01" @default.
• W2085386089 modified "2023-09-27" @default.
• W2085386089 title "SIMULATIONS OF MOLECULAR PACKING ON A NON-INTERACTING HEXAGONAL LATTICE SUBSTRATE" @default.
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• W2085386089 doi "https://doi.org/10.1142/s0218625x12500205" @default.
• W2085386089 hasPublicationYear "2012" @default.
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