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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017Int10hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1138.04485445; Eh
thumbnail.jpeg21-Jul-2017Int2gde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*; SDD-980.882816599; Eh
thumbnail.jpeg21-Jul-2017Int13hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*; SDD-1137.99110548; Eh
thumbnail.jpeg21-Jul-2017Int8hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1138.05061331; Eh
thumbnail.jpeg10-Feb-2020CHOH_on_O_of_PbOdAu3p_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--156.61504082; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NO2_on_Pt(111)Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---534.52984167; eV
thumbnail.jpeg30-Jun-2020i112102García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--152.44704797; eV
thumbnail.jpeg30-Jun-2020i111102García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--144.49566254; eV
thumbnail.jpeg21-Jul-2017TS(12-5)hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1137.99045733; Eh
thumbnail.jpeg21-Jul-2017TS(7-10)hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRM066-31G*; SDD-1137.97965738; Eh
Results 41-50 of 63315 (Search time: 0.004 seconds).