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- W1997209908 abstract "A random search for CO2 trimers by means of ab initio pair potentials in an additive manner yields, in addition to the two experimentally known isomers, three new ones. This result is independent of the potential applied for four different potentials. A model process for trimer formation is simulated and predicts a reasonably high frequency of formation for at least one of the new isomers, making a new experimental search worthwhile. Elsewhere, these potentials are applied in the same manner to calculate bulk properties of fluids. Their performance in reproducing the experimental structures of trimers gives useful hints of what accuracy can be expected for fluid structures." @default.
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- W1997209908 date "2001-06-13" @default.
- W1997209908 modified "2023-09-30" @default.
- W1997209908 title "The CO2 Trimer: Between Gas and Fluid Phase" @default.
- W1997209908 doi "https://doi.org/10.1002/1522-2675(20010613)84:6<1355::aid-hlca1355>3.0.co;2-c" @default.
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