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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-23 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9052208; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-14 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.905767; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-111 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9047725; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-171 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9049777; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-107 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9050935; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-28 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9089569; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-70 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9055424; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-50 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9055752; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-91 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.904206; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-nmr-conf-60 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RmPW1PW91 | 6-311+G(2D,P) | -1378.9054507; Eh |
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