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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jul-2024 | 07_X_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ | -1185.2880042; Eh | |||
 | 5-Jul-2024 | 06_Rh_X_bis_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ GEN | -3442.4936701; Eh | |||
 | 5-Jul-2024 | 05_Rh_X_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ GEN | -3442.4835115; Eh | |||
 | 5-Jul-2024 | 03_ts_2_aq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -3595.3864707; Eh | |||
 | 5-Jul-2024 | 07_ts_2_bis_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.3656499; Eh | |||
 | 5-Jul-2024 | 08_ts_3_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.4109596; Eh | |||
 | 5-Jul-2024 | 05_XIV_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3442.5007099; Eh | |||
 | 5-Jul-2024 | 03_XIII_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.417924; Eh | |||
 | 5-Jul-2024 | 04_XIV_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.4321543; Eh | |||
 | 30-Jul-2024 | 07_VI_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ | -1185.2880042; Eh |
Results 21-30 of 34 (Search time: 0.001 seconds).