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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Oct-2023 | int_4_path_a_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -3637.0851328; Eh | |||
 | 17-Oct-2023 | ts_2_path_a_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -3636.993111; Eh | |||
 | 17-Oct-2023 | product_da_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -3434.4125437; Eh | |||
 | 17-Oct-2023 | rc_da_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -3434.3868758; Eh | |||
 | 17-Oct-2023 | ts_da_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -3434.3677701; Eh | |||
 | 17-Oct-2023 | int_i_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1147.3964962; Eh | |||
 | 17-Oct-2023 | int_7_path_b_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | CC-PVTZ GEN | -5924.0680911; Eh | |||
 | 17-Oct-2023 | int_6_path_b_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | CC-PVTZ GEN | -5924.0617911; Eh | |||
 | 17-Oct-2023 | int_4_path_b_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | CC-PVTZ GEN | -5924.0268502; Eh | |||
 | 17-Oct-2023 | int_5_path_b_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | CC-PVTZ GEN | -5924.0753997; Eh |
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