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- W1417294512 abstract "Abstract The dipole–quadrupole and dipole–octupole polarizabilities of CCl 4 have been determined from collision-induced light scattering (CILS) spectrum. (Hyper)polarizabilities were calculated at the CCSD(T) level of theory with aug-cc-pVXZ (X = D, T, Q) basis sets. The CILS spectra were analyzed using our new intermolecular potential and those available in literature. The quality of the present potential was checked by comparison between calculated and experimental thermophysical and transport properties over a wide temperature range. Our final estimates from experiment for these properties are | A |=62.7 a.u. and | E |=423.8 a.u. and the theoretical values of (hyper)polarizabilities calculated at the CCSD(T)/aug-cc-pVQZ level of theory are α = 69.27 a.u., A = 67.15 a.u., E = −203.97 a.u., C = 821.75 a.u., β = 11.88 a.u., and γ = 10 768.6 a.u." @default.
- W1417294512 created "2016-06-24" @default.
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- W1417294512 date "2015-10-01" @default.
- W1417294512 modified "2023-10-08" @default.
- W1417294512 title "A new insight into the dipole–quadrupole and dipole–octupole polarizabilities of CCl4 from ab initio calculations and anisotropic light scattering experiment" @default.
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- W1417294512 doi "https://doi.org/10.1016/j.cplett.2015.09.002" @default.
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