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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | /enamine 2c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.72526097; Eh | |||
 | 9-Feb-2023 | /enamine 2c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.73052768; Eh | |||
 | 9-Feb-2023 | /Hammett R_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1905.36572593; Eh | |||
 | 9-Feb-2023 | /Hammett R_Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G(D,P) | -1944.66172620; Eh | |||
 | 9-Feb-2023 | /enone INT1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1826.96239879; 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 | /enone 2a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1827.00548483; 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 | /Hammett R_OiPr | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2137.74537736; Eh | |||
 | 9-Feb-2023 | /Hammett R_NO2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2109.79559739; Eh |
Results 31-40 of 51 (Search time: 0.001 seconds).