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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_IM1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1711.77845074; Eh | ||||
12-Aug-2023 | /3a_Me 3a_me_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1593.85158439; Eh | ||||
12-Aug-2023 | /3a_Me 3a_me_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1593.86740111; 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 | ||||
12-Aug-2023 | /3a_Me 4a_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1593.89144154; 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 4a_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1593.92845707; Eh | ||||
12-Aug-2023 | /3a_Me 3a_me_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1593.89644731; Eh | ||||
12-Aug-2023 | /3b_tBu 3b_tbu_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1711.73886707; Eh | ||||
12-Aug-2023 | /3c_iPr 3c_ipr_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1672.44353790; Eh |
Results 1-10 of 31 (Search time: 0.001 seconds).