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
Login required18-Apr-2017/wB97xD CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1091.53055854; Eh
Login required18-Apr-2017/wB97xD NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--862.448698432; Eh
Login required18-Apr-2017/wB97xD adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--1055.84111585; Eh
Login required18-Apr-2017/wB97xD BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--393.222873443; Eh
Login required18-Apr-2017/wB97xD phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--461.103298962; Eh
Results 1-10 of 335 (Search time: 0.002 seconds).