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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Mar-2022 | 33-34-TSS-T | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 34-T | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 32-T | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 31-T | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 36-36B-TSS-T | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 36B-28-TSS-T | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 35B-T | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 36-T | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 35-T | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 36B-T | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | UwB97XD | 6-311++G(D,P) | - |
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