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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/wB97X-D Cat_Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1329.27629743; Eh
Login required21-Jun-2019/wB97X-D After_borylationMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-2141.40290793; Eh
Login required21-Jun-2019/wB97X-D PreProd_O_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1446.32805286; Eh
Login required21-Jun-2019/wB97X-D TS3CsB-CMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1446.29430801; Eh
Login required21-Jun-2019/wB97X-D TS1-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1693.07987212; Eh
Login required21-Jun-2019/wB97X-D PrevNMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1693.11443553; Eh
Login required21-Jun-2019/wB97X-D Int-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1712.99761187; Eh
Login required21-Jun-2019/wB97X-D ProductMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-814.925707071; Eh
Login required21-Jun-2019/wB97X-D Int2_Ni_B2CsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1446.30424594; Eh
Login required21-Jun-2019/wB97X-D CsBCO3Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-695.086000714; Eh
Results 21-30 of 194 (Search time: 0.002 seconds).