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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2023 | /3b_tBu 3b_tbu_R | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1711.80423741; 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 | |||
 | 9-Feb-2023 | /Hammett R_OMe | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2019.84710252; Eh | |||
 | 9-Feb-2023 | /Hammett R_NMe2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2039.27669175; Eh | |||
 | 9-Feb-2023 | /enone 1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1826.97578153; Eh | |||
 | 12-Aug-2023 | /3a_Me 3a_me_R | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1593.92422735; Eh | |||
 | 12-Aug-2023 | /3a_Me 3a_me_IM1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1593.89829792; Eh | |||
 | 9-Feb-2023 | /enamine 1c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.70493528; Eh | |||
 | 9-Feb-2023 | /H INT1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1674.36348823; Eh |
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