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• W1968492774 abstract "Making use of experimental values for the ground-state rotational constants of 12 different isotopomers and vibration–rotation coupling constants calculated by the coupled electron pair approximation (CEPA) an accurate equilibrium geometry has been determined for monochloroacetylene: re(CH)= 1.0605(5)A, R1e(CC)= 1.2030(2)A and R2e(CCl)= 1.6353(1)A. The equilibrium dipole moment is calculated by CCSD(T) using a basis set of 165 contracted Gaussian-type orbitals: µe=–0.433 D." @default.
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• W1968492774 date "1993-01-01" @default.
• W1968492774 modified "2023-09-25" @default.
• W1968492774 title "Calculated spectroscopic constants and the equilibrium geometry of HCCCl" @default.
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• W1968492774 doi "https://doi.org/10.1039/ft9938903669" @default.
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