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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Feb-2023 | /B3LYP_6-31+Gd_optimisation_frequencies/no_guest Ax-i-M-trs-P-trs_B3LYP_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | RB3LYP | 6-31+G(D) | -2996.54463702; Eh | |||
 | 21-Feb-2023 | /B3LYP_6-31+Gd_optimisation_frequencies/no_guest Ax-i-P-trs-P-trs_B3LYP_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | RB3LYP | 6-31+G(D) | -2996.54084496; Eh | |||
 | 21-Feb-2023 | /B3LYP_6-31+Gd_optimisation_frequencies/no_guest Ax-i-M-trs-M-trs_B3LYP_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | RB3LYP | 6-31+G(D) | -2996.54795818; Eh | |||
 | 21-Feb-2023 | /B3LYP_6-31+Gd_optimisation_frequencies/no_guest Ax-i-M-trs-P-cis_B3LYP_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | RB3LYP | 6-31+G(D) | -2996.54059433; Eh | |||
 | 30-Jan-2024 | /Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | RB3LYP | DEF2TZVPP | - | |||
 | 9-Jan-2024 | /model_system TS9_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GENECP | -1553.81347787; Eh |
Results 31-36 of 36 (Search time: 0.001 seconds).