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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017Int10cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.07883885; Eh
thumbnail.jpeg21-Jul-2017Int8jde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.26047540; Eh
thumbnail.jpeg21-Jul-2017Int4abde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.48192594; Eh
thumbnail.jpeg21-Jul-2017TS(2-4)dde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01124892; Eh
thumbnail.jpeg21-Jul-2017TS(4d-4df)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.02819270; Eh
thumbnail.jpeg21-Jul-2017TS(2-11)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1253.45463646; Eh
thumbnail.jpeg21-Jul-2017TS(5-6)fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01591220; Eh
thumbnail.jpeg21-Jul-2017Int2ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-904.790361246; Eh
thumbnail.jpeg21-Jul-2017TS(4-7)jde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.17636347; Eh
thumbnail.jpeg21-Jul-2017TS(5-8)fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.02221553; Eh
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