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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Aug-2022 | Py2b | Sanjosé-Orduna, Jesus | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | 6-31+G(D,P) | -1096.70317449; Eh | |||
 | 9-Aug-2022 | Py2a | Sanjosé-Orduna, Jesus | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | 6-31+G(D,P) | -1096.70761311; Eh | |||
 | 9-Aug-2022 | Cy2 | Sanjosé-Orduna, Jesus | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | 6-31+G(D,P) | -235.163066381; Eh | |||
 | 9-Aug-2022 | BP1_star | Sanjosé-Orduna, Jesus | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | 6-31+G(D,P) | -576.363152739; Eh | |||
 | 9-Aug-2022 | BP1-H | Sanjosé-Orduna, Jesus | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | 6-31+G(D,P) | -577.045114959; Eh |
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