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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2017pom2_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14738637; Eh
thumbnail.jpeg17-Oct-2017pom1_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.10527399; Eh
thumbnail.jpeg17-Oct-2017adduct-2_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--12188.3963789; Eh
thumbnail.jpeg17-Oct-2017adduct-4_directSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--11502.2976137; Eh
thumbnail.jpeg17-Oct-2017pom1_5Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.13259707; Eh
Login required15-Nov-2016C3-K-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.67340493; eV
thumbnail.jpeg17-Oct-2017tba_2Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--686.015050513; Eh
thumbnail.jpeg17-Oct-2017adduct-1_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--12188.3522632; Eh
Login required15-Nov-2016s4-k-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---769.19422457; eV
thumbnail.jpeg17-Oct-2017adduct-6_directSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--11502.2845896; Eh
Results 21-30 of 103 (Search time: 0.0 seconds).