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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Nov-2016Facing-K-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---769.10130560; eV
thumbnail.jpeg17-Oct-2017pom1_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.19262679; Eh
Login required15-Nov-2016Facing-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.01509331; eV
Login required15-Nov-2016S4-k-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.85138437; eV
Login required15-Nov-2016C3-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.56729847; eV
Login required15-Nov-2016s4-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.64886198; eV
thumbnail.jpeg17-Oct-2017pom2_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14416347; Eh
thumbnail.jpeg17-Oct-2017tba_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--686.026550534; Eh
Login required15-Nov-2016s4-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---768.81659083; eV
thumbnail.jpeg17-Oct-2017adduct-3_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--12188.3965050; Eh
Results 31-40 of 103 (Search time: 0.001 seconds).