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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | /Hammett TS_F | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2004.52600369; Eh | |||
 | 9-Feb-2023 | /Hammett TS_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1905.32221639; Eh | |||
 | 9-Feb-2023 | /Hammett TS_Cl | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2364.89318373; Eh | |||
 | 9-Feb-2023 | /Hammett TS_CN | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1997.54010191; Eh | |||
 | 9-Feb-2023 | /enamine TS4c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1885.65916512; Eh | |||
 | 9-Feb-2023 | /enone TS1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1826.95282260; Eh | |||
 | 9-Feb-2023 | /enone TS2a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1826.94538665; Eh | |||
 | 9-Feb-2023 | /H TS1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1674.34433399; Eh | |||
 | 9-Feb-2023 | /H TS2b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1674.34433399; Eh |
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