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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Dec-2018V18_10-8_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-18.76280887; Eh
Login required13-Dec-2018V18_8-10_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-18.38877688; Eh
Login required13-Dec-2018V18_18-0_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-19.79511607; Eh
Login required13-Dec-2018V18_16-2_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-
Login required15-Nov-2016C3-K-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---769.24442377; eV
thumbnail.jpeg17-Oct-2017pom2_4Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14558778; Eh
thumbnail.jpeg17-Oct-2017tba_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--686.025411030; Eh
thumbnail.jpeg17-Oct-2017pom1_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14871761; Eh
thumbnail.jpeg17-Oct-2017pom2_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.13415150; Eh
Login required15-Nov-2016Facing-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---767.94023186; eV
Results 11-20 of 103 (Search time: 0.001 seconds).