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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Dec-2018/Th@C86_ipr11_Th_sites th-c86-ipr11-2Roser, MoralesADF; 2017Geometry optimization MinimumDFTTZP-27.96145090; Eh
thumbnail.jpeg16-Jun-2017_cis-syn-cis__Pyridyl-substituted_bis-pyrrolidine_hexa-adducts_oAzmani, KhalidADF; 2016Geometry optimizationDFTTZP-50.23086059; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_UV-Vis-NIR th@c82_ipr8_UVRoser, MoralesADF; 2013; 01Single pointDFTTZP-
Login required1-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50H10Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.47004199; Eh
thumbnail.jpeg5-Dec-2016th@c82_ipr8Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.50297963; Eh
Login required1-Feb-2017/C2v(1809)-C60 Sr@C2v(1809)-C60F4Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.84305908; Eh
Login required1-Feb-2017/D5h(271)-C50 D5h(271)-C50F2Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-16.12074141; Eh
Login required28-Jun-2017Lu3N@C80_THJ_ori1Abella, LauraADF; 2016Single point MinimumDFTTZP-1459.80863320; eV
thumbnail.jpeg16-Jun-2017Mono-(pyridyl-pyrrolidine)_penta-adduct_of_C60Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-43.94516650; Eh
thumbnail.jpeg16-Jun-2017Mono-(Ester-pyrrolidine)_penta-adduct_of_C60Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-42.12884089; Eh
Results 51-60 of 179 (Search time: 0.0 seconds).