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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/toluene 1c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.64141033; Eh | |||
 | 9-Nov-2022 | /enamine/toluene TS2c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.61158314; Eh | |||
 | 9-Nov-2022 | /H 2b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1674.37262456; Eh | |||
 | 9-Nov-2022 | /H 1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1674.33287748; Eh | |||
 | 9-Nov-2022 | /enamine/toluene INT1c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.62266701; Eh | |||
 | 9-Nov-2022 | /model TSA | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1218.69354335; 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 | /enone TS2a | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D) | -1826.89583749; Eh | |||
 | 9-Nov-2022 | /enone TS1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1826.90332141; Eh | |||
 | 9-Nov-2022 | /enamine/DCM TS2c_concerted_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G(D) | -1885.60307781; Eh |
Results 21-30 of 1082 (Search time: 0.001 seconds).