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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Oct-2023 | ts_da_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ | -3433.51972194; Eh | |||
 | 17-Oct-2023 | ts_5_path_b_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -5922.64540974; Eh | |||
 | 17-Oct-2023 | ts_3_path_b_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -5922.58798255; Eh | |||
 | 17-Oct-2023 | ts_2_path_b_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -5922.60245068; Eh | |||
 | 17-Oct-2023 | ts_4_path_b_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -5922.64551760; Eh | |||
 | 17-Oct-2023 | ts_1_common_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3636.12319537; Eh | |||
 | 17-Oct-2023 | ts_3_path_a_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3636.14370614; Eh | |||
 | 17-Oct-2023 | ts_2_path_a_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3636.11718944; Eh |
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