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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2023 | /3b_tBu 3b_tbu_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1711.75319103; Eh | |||
 | 12-Aug-2023 | /3b_tBu 3b_tbu_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1711.77843108; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.12074482; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.14150758; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.14931638; Eh | |||
 | 12-Aug-2023 | /1s 1s_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1497.25746651; Eh | |||
 | 12-Aug-2023 | /1s 1s_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1497.25746654; Eh | |||
 | 12-Aug-2023 | /1s 1s_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1497.26679336; Eh | |||
 | 9-Feb-2023 | /Hammett TS_CO2Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2133.12314095; Eh | |||
 | 9-Feb-2023 | /Hammett TS_Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1944.62042707; Eh |
Results 31-40 of 49 (Search time: 0.001 seconds).
Discover
Subject