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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Nov-2022 | /enamine/DCM TS2c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1885.61798141; Eh | |||
 | 9-Nov-2022 | /model I | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1218.74322952; Eh | |||
 | 9-Nov-2022 | /model INT1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.70420486; Eh | |||
 | 9-Nov-2022 | /model TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.71931766; Eh | |||
 | 9-Nov-2022 | /model II | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1218.77975161; Eh | |||
 | 9-Nov-2022 | /model TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.70420486; Eh | |||
 | 9-Nov-2022 | /enone 1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1826.92580124; Eh | |||
 | 9-Nov-2022 | /enone 2a | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1826.95671352; Eh | |||
 | 9-Nov-2022 | /enone INT1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1826.91236027; Eh | |||
 | 9-Nov-2022 | /enone TS1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1826.90332141; Eh |
Results 11-20 of 112 (Search time: 0.001 seconds).