Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/Pirrol PrevMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1693.71791104; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int2-Ni-BMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1269.54295142; Eh
Login required21-Jun-2019/RealCat TS2b2pin22Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2368.31511282; Eh
Login required21-Jun-2019/Pinacolato TS3CsB-OMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.73342512; Eh
Login required21-Jun-2019/Pinacolato TS4-afterMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79207287; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS42Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1269.52584924; Eh
Login required21-Jun-2019/Pirrol Int-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1693.72575623; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int3_Ni_B_OCsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.41307918; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int2-Ni-B2CsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.43109443; Eh
Login required21-Jun-2019/RealCat TS2b2nep2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2289.63823558; Eh
Results 21-30 of 80 (Search time: 0.001 seconds).