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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/wB97X-D TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1712.94213846; Eh
Login required21-Jun-2019/wB97X-D TS1_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1712.90717511; Eh
Login required21-Jun-2019/wB97X-D TS2-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2141.37418765; 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 TS1-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1014.98638504; Eh
Login required21-Jun-2019/wB97X-D TS3CsB-OMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1446.27348492; Eh
thumbnail.jpeg17-Jul-2019TS3_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-1155.32223413; Eh
thumbnail.jpeg17-Jul-2019TS1_bisMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-1422.98739769; Eh
thumbnail.jpeg17-Jul-2019TS-iso1_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-961.912128846; Eh
Results 1-10 of 11 (Search time: 0.001 seconds).