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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Dec-2018V18_12-6_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-19.08635647; Eh
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-
thumbnail.jpeg29-Sep-2020DSiBOD_CH2Cl2Masip, AlbertADF; 2017Single pointB3LYPTZ2P-
thumbnail.jpeg29-Sep-2020DSiBOD_MeCNMasip, AlbertADF; 2017Single pointB3LYPTZ2P-
thumbnail.jpeg29-Sep-2020KSiBOD_CH2Cl2Masip, AlbertADF; 2017Single pointBP86TZP-
thumbnail.jpeg29-Sep-2020KSiBOD_MeCNMasip, AlbertADF; 2017Single pointBP86TZP-
thumbnail.jpeg29-Sep-2020DSiBOD_DMFMasip, AlbertADF; 2017Single pointB3LYPTZ2P-
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