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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Dec-2020 | cyclopeptide_anion_frequency | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | 6-31+G(D,P) | - | |||
 | 5-Dec-2020 | cyclopeptide_frequency | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | 6-31+G(D,P) | - | |||
 | 5-Dec-2020 | cyclopeptide_product | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | 6-31+G(D,P) | - | |||
 | 5-Dec-2020 | cyclopeptide_anion | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | 6-31+G(D,P) | - | |||
 | 5-Dec-2020 | cyclopeptide | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | 6-31+G(D,P) | - | |||
 | 28-Mar-2024 | P5 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-31G(D,P) | -815.065018167; Eh | |||
 | 28-Mar-2024 | R2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-31G(D,P) | -815.107734157; Eh | |||
 | 28-Mar-2024 | P4 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-31G(D,P) | -815.080246087; Eh | |||
 | 28-Mar-2024 | P3 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-31G(D,P) | -815.098492882; Eh | |||
 | 28-Mar-2024 | TS3 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -815.080408078; Eh |
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