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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Nov-2024 | MPPPPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9251081; Eh | |||
| 26-Nov-2024 | PPPPMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9334067; Eh | |||
| 26-Nov-2024 | MPMPPS_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -3459.9217803; Eh | |||
| 26-Nov-2024 | PPMPPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9253146; Eh | |||
| 26-Nov-2024 | /fig_s5/spe fig_s5_int_3_isom_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -2665.3099017; Eh | |||
| 26-Nov-2024 | fig_s6_int_5_aq_3_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -2894.8091815; Eh | |||
| 26-Nov-2024 | fig_s6_ts_4_aq_3_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -2894.7325967; Eh | |||
| 26-Nov-2024 | fig_s6_ts_5_aq_3_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -2894.7740342; Eh | |||
| 26-Nov-2024 | fig_s6_int_6_aq_3_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -2894.8302297; Eh | |||
| 26-Nov-2024 | /fig_s5/spe fig_s5_ts_2_isom_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -2665.216403; Eh |
Results 791-800 of 982 (Search time: 0.002 seconds).