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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Nov-2023 | Figure2_TS56 | Cao, Yumeng | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -3133.56771471; Eh | |||
 | 16-Nov-2023 | Figure2_TS12 | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -3133.59237813; Eh | |||
 | 16-Nov-2023 | Figure2_TS23 | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -3133.60796506; Eh | |||
 | 16-Nov-2023 | Figure2_TS25 | Cao, Yumeng | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -3133.58215934; Eh | |||
 | 16-Nov-2023 | Figure4_TS23_freecarbene | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -404.401777760; Eh | |||
 | 16-Nov-2023 | Figure4_TS23_CCH2 | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -443.814256356; Eh | |||
 | 16-Nov-2023 | Figure4_TS23_CO | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -479.757887466; Eh | |||
 | 16-Nov-2023 | Figure6_TS56_N | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -2016.35888106; Eh | |||
 | 16-Nov-2023 | Figure6_TS25_N | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -2016.35739802; Eh | |||
 | 16-Nov-2023 | Figure6_TS12_N | Cao, Yumeng | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPW6B95D3 | DEF2SVP | -2016.36455924; Eh |
Results 1-10 of 15 (Search time: 0.001 seconds).