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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Oct-2021 | /STEP-A/iPrOH C-iPrOH | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1131.37513200; Eh | |||
 | 14-Oct-2021 | /STEP-A/iPrOH B-iPrOH | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1131.36876583; Eh | |||
 | 14-Oct-2021 | /STEP-A/iPrOH BneopOiPr | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -565.629402451; Eh | |||
 | 14-Oct-2021 | /STEP-A/iPrOH A-iPrOH | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -937.544014324; Eh | |||
 | 14-Oct-2021 | /STEP-A/iPrOH OiPr | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -193.764169360; Eh | |||
 | 14-Oct-2021 | /STEP-A/MeOH A | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -858.925287712; Eh | |||
 | 14-Oct-2021 | /STEP-A/MeOH BneopOMe | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -487.006649808; Eh | |||
 | 14-Oct-2021 | /STEP-A/MeOH C | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1131.37759745; Eh | |||
 | 14-Oct-2021 | /STEP-A/MeOH B | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1131.37116984; Eh | |||
 | 14-Oct-2021 | /STEP-B/MeOH BpinOMe | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -526.323703671; Eh |
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- 35 Boron