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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 1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1674.33287748; Eh | |||
 | 9-Nov-2022 | /H INT1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1674.31677719; Eh | |||
 | 9-Feb-2023 | /enamine INT2c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.68148426; Eh | |||
 | 9-Feb-2023 | /enamine INT1c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.67860938; Eh | |||
 | 9-Feb-2023 | /enamine INT1c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.67860938; Eh | |||
 | 9-Feb-2023 | /enamine INT2c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.67272198; Eh | |||
 | 9-Feb-2023 | /model INT1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1218.76384247; Eh | |||
 | 9-Feb-2023 | /model II | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1218.81832657; Eh | |||
 | 9-Feb-2023 | /H 1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1674.37997476; Eh | |||
 | 9-Feb-2023 | /Hammett R_CO2Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2133.16596704; Eh |
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