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/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/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--2026.91332746; 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
thumbnail.jpeg1-Dec-2017/Racemization/TS_Rac TS_RacGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--456.389672738; Eh
thumbnail.jpeg1-Dec-2017/Racemization/TS_Rac/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--456.264743798; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/No_Cat No_CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--456.726372899; Eh
Results 21-30 of 466 (Search time: 0.002 seconds).