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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jul-2022 | /mo mo_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6253.0807511; Eh | |||
 | 12-Oct-2022 | /intermediates G9 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.69942223; Eh | |||
 | 12-Oct-2022 | /transition_states TS_G9_G0 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.69820071; Eh | |||
 | 12-Oct-2022 | /transition_states TS_G41_G12 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.67009573; Eh | |||
 | 12-Oct-2022 | /intermediates G12 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.69130190; Eh | |||
 | 12-Oct-2022 | /transition_states TS_G12_G15 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.68308138; Eh | |||
 | 12-Oct-2022 | /intermediates G41 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.67908721; Eh | |||
 | 12-Oct-2022 | /transition_states TS_G75_G41 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.65743549; Eh | |||
 | 12-Oct-2022 | /intermediates G0 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.71301790; Eh | |||
 | 25-Jul-2022 | /cr cr_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7229.3610304; Eh |
Results 1-10 of 104 (Search time: 0.001 seconds).