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• W2081567700 abstract "Ab initio coupled‐cluster calculations with single and double excitations (CCSD) and with a perturbational treatment of connected triple excitations [CCSD(T)] are reported for difluoroethyne using large basis sets. The results for the trans‐bending mode ν4 are extremely sensitive to electron correlation and basis set effects. The best theoretical and experimental estimates for the fundamental vibrational frequencies are in excellent agreement." @default.
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• W2081567700 date "1992-09-01" @default.
• W2081567700 modified "2023-09-27" @default.
• W2081567700 title "The vibrational frequencies of difluoroethyne" @default.
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• W2081567700 doi "https://doi.org/10.1063/1.462984" @default.
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