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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Mar-2022 | 35-38-TSS-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 44-44a-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 38-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 47-44-TSS | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 31-33-TSS-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 31-35-TSS-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 33-34-TSS-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 31-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 25-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | ||||
2-Mar-2022 | 35-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - |
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