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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2018/Cr2Ni/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-20.96003827; Eh
thumbnail.jpeg20-Jul-2018/Cr2Mn/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-21.11248869; Eh
Login required25-Sep-2018/U@(17418)C76 U@C76_triplet_optRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-25.08741306; Eh
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.jpeg16-Jun-2017_cis-syn-cis__Pyridyl-substituted_bis-pyrrolidine_hexa-adducts_oAzmani, KhalidADF; 2016Geometry optimizationDFTTZP-50.23086059; Eh
Login required1-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50H10Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.47004199; Eh
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