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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Dec-2017C72Cl3Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-23.35778389; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-quintetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.34268583; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-singletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88568947; 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 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
thumbnail.jpeg21-Jul-2016Sc2C2@Cs(hept)-C88_orientation_1Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.12107555; Eh
thumbnail.jpeg23-Apr-2018/ADF17_calculations/electrochemistry Siii_neutralRoser, MoralesADF; 2017Geometry optimizationDFTTZP-26.41488913; Eh
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