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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Oct-2021 | /Bpin-Bdan E-2 | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -720.133086838; Eh | |||
 | 14-Oct-2021 | /STEP-A/TFE C-TFE | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1618.39519540; Eh | |||
 | 14-Oct-2021 | /STEP-B/MeOH BneopBpin-OMe | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -898.243857237; Eh | |||
 | 14-Oct-2021 | /STEP-A/TFE B2neop2-TFE | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -743.714666520; Eh | |||
 | 14-Oct-2021 | /STEP-A/TFE B-TFE | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1131.37047493; Eh | |||
 | 14-Oct-2021 | /STEP-A/TFE BpinBneop-OCH2CF3 | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1235.21243138; Eh | |||
 | 14-Oct-2021 | /STEP-A/TFE Product-TFE | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -720.132992475; Eh | |||
 | 14-Oct-2021 | /STEP-B/MeOH B_ | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1092.04974297; Eh | |||
 | 14-Oct-2021 | /Bpin-Bdan A2-Bpin | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1046.59269834; Eh | |||
 | 14-Oct-2021 | /Bpin-Bdan BpinBdan | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -931.378852174; Eh |
Results 21-30 of 35 (Search time: 0.0 seconds).