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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jul-2024 | 01_Rh_1a_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ GEN | -3442.459344; 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 | 04_XIII_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ GEN | -3442.4837179; Eh | |||
 | 5-Jul-2024 | 02_XI_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ GEN | -3442.4961222; Eh | |||
 | 5-Jul-2024 | 03_XII_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | CC-PVTZ GEN | -3442.4534465; 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 | 10_ts_5_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3442.4841561; Eh | |||
 | 5-Jul-2024 | 09_ts_4_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.3945084; 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 |
Results 11-20 of 34 (Search time: 0.001 seconds).