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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Nov-2022 | /H INT1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1674.31677719; Eh | |||
 | 9-Nov-2022 | /enamine/toluene TS1c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.62032664; Eh | |||
 | 9-Nov-2022 | /model INT1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.70420486; Eh | |||
 | 9-Nov-2022 | /H TS1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1674.31084116; Eh | |||
 | 9-Nov-2022 | /H TS2b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1674.29807767; Eh | |||
 | 9-Nov-2022 | /enamine/DCM INT2c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1885.62573187; Eh | |||
 | 9-Nov-2022 | /enamine/DCM TS2c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1885.61798141; Eh | |||
 | 9-Nov-2022 | /model I | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1218.74322952; Eh | |||
 | 9-Nov-2022 | /enone 1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1826.92580124; Eh | |||
 | 9-Nov-2022 | /enamine/toluene 3c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.67021277; Eh |
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