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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017TS(4-5)ide Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1214.19456595; Eh
thumbnail.jpeg21-Jul-2017TS(2-3)ede Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.00771206; Eh
thumbnail.jpeg21-Jul-2017TS(4i-4ij)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1214.17798461; Eh
thumbnail.jpeg26-Sep-2016/Copper ATS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1854.84661766; Eh
thumbnail.jpeg21-Jul-2017TS(4-13)hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRM066-31G*; SDD-1137.98073062; Eh
thumbnail.jpeg21-Jul-2017TS(5-8)ede Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01549652; Eh
thumbnail.jpeg21-Jul-2017TS(4-7)dde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01538203; Eh
thumbnail.jpeg21-Jul-2017TS(1-2)bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1061.88333916; Eh
thumbnail.jpeg21-Jul-2017TS(4-7)hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRM066-31G*; SDD-1137.98774789; Eh
thumbnail.jpeg21-Jul-2017TS(4-5)fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.02710392; Eh
Results 31-40 of 1455 (Search time: 0.002 seconds).