dorsal/arxiv
View SchemaThe twisted arc model for chiral molecules
| Authors | Johannes Trost, Klaus Hornberger |
|---|---|
| Categories | |
| ArXiv ID | physics/0703252 |
| URL | https://arxiv.org/abs/physics/0703252 |
| DOI | 10.1016/j.chemphys.2007.04.005 |
| Journal | Chem. Phys. 335, 115-123 (2007) |
Abstract
We present a simple model for chiral molecules which yields the frequency-dependent multipole-multipole polarizabilities required for calculating the dispersive van der Waals constants in a simple, closed, and consistent form. The model consists of a single effective charge confined to a one-dimensional wire formed by two circular arcs, which are twisted with respect to each other by an angle characterizing the chirality. The resulting polarizabilities show a simple functional dependence on the model parameters, and they serve to mimic the chiral properties of small molecules, such as H2S2, in a reasonably realistic way.
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"abstract": "We present a simple model for chiral molecules which yields the\nfrequency-dependent multipole-multipole polarizabilities required for\ncalculating the dispersive van der Waals constants in a simple, closed, and\nconsistent form. The model consists of a single effective charge confined to a\none-dimensional wire formed by two circular arcs, which are twisted with\nrespect to each other by an angle characterizing the chirality. The resulting\npolarizabilities show a simple functional dependence on the model parameters,\nand they serve to mimic the chiral properties of small molecules, such as H2S2,\nin a reasonably realistic way.",
"arxiv_id": "physics/0703252",
"authors": [
"Johannes Trost",
"Klaus Hornberger"
],
"categories": [
"physics.chem-ph"
],
"doi": "10.1016/j.chemphys.2007.04.005",
"journal_ref": "Chem. Phys. 335, 115-123 (2007)",
"title": "The twisted arc model for chiral molecules",
"url": "https://arxiv.org/abs/physics/0703252"
},
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