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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2024 | /C418-4 C418_4-nmr-conf-43 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9042682; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-194 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9054741; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-192 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9044569; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-208 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.905101; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-254 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.906481; Eh |
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