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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/B3LYP_6-31+Gd_optimisation_frequencies/free_chloroform CHCl3_ | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | RB3LYP | 6-31+G(D) | -1419.29221120; Eh | |||
/M06-2X_6-31+Gd_optimisation_frequencies/free_chloroform CHCl3_M06-2X_6-31plGd_chloroformSMD_optimisation_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | RM062X | 6-31+G(D) | -1419.17560530; Eh |
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