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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jul-2024 | 05_XV_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3442.5007099; Eh | |||
 | 30-Jul-2024 | 01_XI_aq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -3595.4360769; Eh | |||
 | 26-Nov-2024 | fig_s4_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_s2_3b | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -2537.7726508; Eh | |||
 | 5-Jul-2024 | 2a_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ | -3472.0098414; Eh | |||
 | 5-Jul-2024 | c60_X_ts_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ | -3471.9338466; Eh | |||
 | 5-Jul-2024 | c60_X_complex_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ | -3471.9606276; Eh | |||
| 29-Nov-2024 | /table_s4 PPPMMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.919221; Eh | |||
| 29-Nov-2024 | /table_s4 PPMPPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9253146; Eh | |||
| 26-Nov-2024 | fig_s6_int_6_aq_3 | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -2894.03052352; Eh |
Results 581-590 of 793 (Search time: 0.001 seconds).