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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
thumbnail.jpeg22-Feb-2023H4PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-26.08353246; Eh
thumbnail.jpeg22-Feb-2023H2PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-24.67639148; Eh
thumbnail.jpeg22-Feb-2023H3PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-25.38089820; Eh
thumbnail.jpeg22-Feb-2023HPV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-23.96123699; Eh
thumbnail.jpeg22-Feb-2023PV14Masip, AlbertADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZ2P-23.23927949; Eh
thumbnail.jpeg22-Feb-2023BenzylaminiumMasip, AlbertADF; 2019; 306Geometry optimizationBP86TZ2P-3.78038169; Eh
thumbnail.jpeg22-Feb-2023PV14_(freq)Masip, AlbertADF; 2019; 306FrequenciesPBE0 == Not Default ==TZ2P-
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