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- W2045257934 endingPage "11608" @default.
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- W2045257934 abstract "The ground state intermolecular potential energy surface for the p-difluorobenzene−Ar van der Waals complex is evaluated using the coupled cluster singles and doubles including connected triple excitations [CCSD(T)] model and the augmented correlation consistent polarized valence double-ζ basis set extended with a set of 3s3p2d1f1g midbond functions. The surface minima are characterized by the Ar atom located above and below the difluorobenzene center of mass at a distance of 3.5290 Å. The corresponding binding energy is −398.856 cm-1. The surface is used in the evaluation of the intermolecular level structure of the complex. The results clearly improve previously available data and show the importance of using a good correlation method and basis set when dealing with van der Waals complexes." @default.
- W2045257934 created "2016-06-24" @default.
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- W2045257934 date "2005-11-01" @default.
- W2045257934 modified "2023-09-25" @default.
- W2045257934 title "<i>p</i>-Difluorobenzene−Argon Ground State Intermolecular Potential Energy Surface" @default.
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- W2045257934 doi "https://doi.org/10.1021/jp0538969" @default.
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