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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Feb-2023 | /M06-2X_6-31+Gd_optimisation_frequencies/no_guest Eq-o-M-cis-M-cis_M06-2X_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RM062X | 6-31+G(D) | -2995.24395982; Eh | ||||
21-Feb-2023 | /M06-2X_6-31+Gd_optimisation_frequencies/no_guest Eq-i-M-cis-M-cis_eqax_M06-2X_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RM062X | 6-31+G(D) | -2995.25202399; Eh |
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