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• W2070795890 abstract "Abstract A theoretical study (to MP3 level) of the linear dimer (HF)2 is presented that focusses on the calculation of certain thermodynamic properties related to the interaction energy, analyzing the influence on them of the basis set superposition (BSSE) according to whether it is evaluated by the counterpoise (CP) method, or the corrected CP method EICP (extended indirect counterpoise). This latter option yields values in good agreement with the available experimental data, even by using a basis set of modest quality: 4-31G." @default.
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• W2070795890 date "1992-02-01" @default.
• W2070795890 modified "2023-09-24" @default.
• W2070795890 title "Ab initio BSSE-EICP calculations of thermodynamic properties on linear hydrogen fluoride dimerization" @default.
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• W2070795890 doi "https://doi.org/10.1016/0166-1280(92)80066-u" @default.
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