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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-May-2023 | C6F5I | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVDZ GEN | -1019.06576595; Eh | |||
 | 10-May-2023 | HCN-HCN | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVTZ GEN | -185.821946199; Eh | |||
 | 10-May-2023 | HCN-IF | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVTZ GEN | -487.012118693; Eh | |||
 | 10-May-2023 | pyr-C6F5I | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVDZ GEN | -1265.79096939; Eh | |||
 | 10-May-2023 | C6F5Br | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVDZ GEN | -1139.90307866; Eh | |||
 | 10-May-2023 | HCN-HCl | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVTZ GEN | -553.018929215; Eh | |||
 | 10-May-2023 | pyridine | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVDZ GEN | -246.721568857; Eh | |||
 | 27-Feb-2024 | Wilkinson2P | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | CC-PVDZ GEN | -2643.38122348; Eh | |||
 | 27-Feb-2024 | Wilkinson | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | CC-PVDZ GEN | -3679.83627031; Eh | |||
 | 18-Oct-2023 | Wilkinson2P | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | CC-PVDZ GEN | -2643.38122348; Eh |
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