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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Oct-2023 | /functional_selection geo_opt_camb3lyp_3b | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-311+G(D,P) | -1269.32069192; Eh | |||
 | 2-Oct-2023 | /functional_selection geo_opt_camb3lyp_3f | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-311+G(D,P) | -1359.31316685; Eh | |||
 | 2-Oct-2023 | /functional_selection geo_opt_camb3lyp_3h | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-311+G(D,P) | -1588.33735366; Eh | |||
 | 2-Oct-2023 | /functional_selection geo_opt_camb3lyp_3j | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-311+G(D,P) | -1461.91773679; Eh | |||
 | 2-Oct-2023 | /functional_selection geo_opt_camb3lyp_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-311+G(D,P) | -1154.81035410; Eh | |||
 | 18-Sep-2023 | /method_selection azapent_camb3lyp | Mayer, Péter | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-311+G(D,P) | -592.240589361; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdcamb3_ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | CC-PVDZ | -1289.7511426; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdcamb3_pc1_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | GEN | -1289.4873034; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdcamb3_ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | CC-PVDZ | -720.3720642; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdcamb3_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | TZVP | -720.6400021; Eh |
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