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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 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 | |||
 | 10-Mar-2021 | /NEUTRAL 2a2dan-H | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -1079.70545588; Eh | |||
 | 10-Mar-2021 | /ANIONIC/TS 1bpin-aduct | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -582.159735595; Eh | |||
 | 10-Mar-2021 | /ANIONIC/TS 1ames-aduct | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -855.586037349; Eh | |||
 | 10-Mar-2021 | /ANIONIC/TS 33pin-aduct | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1364.08483438; Eh |
Results 31-40 of 93 (Search time: 0.0 seconds).