Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Racemization/Scan_H Scan_HGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--783.811400163; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Ensemble EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--783.847573025; Eh
thumbnail.jpeg1-Dec-2017/Racemization/EnsembleBn_OCC EnsembleBn_OCCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--783.847601737; Eh
thumbnail.jpeg1-Dec-2017/Racemization/CC_Alk CC_AlkGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.399402698; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Prod ProdGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.399385675; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Ep_Alk Ep_AlkGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--267.772995968; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Int IntGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.397886704; Eh
thumbnail.jpeg1-Dec-2017/Racemization/TS_H/Alk_FC Alk_FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.92052706; Eh
thumbnail.jpeg1-Dec-2017/Racemization/TS_H/Scan/DZP DZPGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.47243730; Eh
thumbnail.jpeg1-Dec-2017/Racemization/TS_H/Scan/DZP/Zoom_TZDP Zoom_TZDPGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.92009403; Eh
Results 1-10 of 424 (Search time: 0.002 seconds).