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- W2057642710 abstract "Several complexes of trifluoro-s-triazine (TFZ) with [BH4]−, [BF4]− and [PF6]− anions have been optimized at the MP2/6-31++G∗∗ level of theory. The geometrical features of the complexes have been compared with experimental data retrieved from the Cambridge Structural Database. The complexes are energetically favorable and the interaction has been characterized by means of the Bader’s theory of ‘atoms-in-molecules’." @default.
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- W2057642710 date "2007-04-01" @default.
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- W2057642710 title "MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions" @default.
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- W2057642710 doi "https://doi.org/10.1016/j.cplett.2007.02.047" @default.
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