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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017TS(5i-5k)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1214.18744554; Eh
thumbnail.jpeg21-Jul-2017Int3ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.49738032; Eh
thumbnail.jpeg21-Jul-2017TS(2-4)cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01129874; Eh
thumbnail.jpeg21-Jul-2017TS(2-4)hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRM066-31G*; SDD-1137.96864593; Eh
thumbnail.jpeg21-Jul-2017TS(4a-4ab)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1253.48191446; Eh
thumbnail.jpeg21-Jul-2017TS(4-7)bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1253.47715378; Eh
thumbnail.jpeg21-Jul-2017Int4jde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.20302088; Eh
thumbnail.jpeg21-Jul-20172ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*-348.677777233; Eh
thumbnail.jpeg21-Jul-2017TS(5-8)ide Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1214.20071358; Eh
thumbnail.jpeg21-Jul-2017Int7cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.07421427; Eh
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