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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /model TSA | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1218.69354335; Eh | ||
 | /model INT1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1218.70420486; Eh | ||
 | /model TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1218.71931766; Eh | ||
 | /model TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1218.70420486; Eh | ||
 | /enone TS2a | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1826.89583749; Eh | ||
 | /enone TS1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RM062X | 6-31G(D) | -1826.90332141; Eh | ||
 | /H TS1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1674.31084116; Eh | ||
 | /H TS2b | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1674.29807767; Eh | ||
 | /enamine/DCM TS1c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1885.62686009; Eh | ||
 | /enamine/DCM TS3c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1885.62267401; Eh | ||
 | /enamine/DCM TS2c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | RM062X | 6-31G(D) | -1885.61798141; Eh |
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