Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Apr-2022 | C-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1403.64714993; Eh | |||
 | 4-Apr-2022 | D_p-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1006.06368753; Eh | |||
 | 4-Apr-2022 | D-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1404.12107474; Eh | |||
 | 9-Feb-2023 | /Hammett TS_NMe2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2039.23648441; Eh | |||
 | 9-Feb-2023 | /Hammett TS_NO2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2109.75345216; Eh | |||
 | 9-Feb-2023 | /Hammett TS_OMe | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2019.80223544; Eh | |||
 | 9-Feb-2023 | /Hammett TS_OiPr | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2137.70170770; Eh | |||
 | 9-Feb-2023 | /model TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1218.75865878; Eh | |||
 | 9-Feb-2023 | /model TSA | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1218.73300619; Eh | |||
 | 9-Feb-2023 | /enamine TS1c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1885.67584349; Eh |
Results 31-40 of 168 (Search time: 0.002 seconds).