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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Feb-2017/C2v(1809)-C60 Ca@C2v(1809)-C60F4_(2)Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.82795034; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.52517243; Eh
Login required30-Jan-2017/U@C74/U@C74_opt U@C74_1_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-23.93615062; Eh
Login required2-Feb-2017/D5h(271)-C50 D5h(271)-C50Cl20Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.47551690; Eh
Login required2-Feb-2017/D5h(271)-C50 D5h(271)-C50F16Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-18.21033355; Eh
Login required2-Feb-2017/C2v(1809)-C60 Sr@C2v(1809)-C60F2Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.54495439; Eh
thumbnail.jpeg16-Jun-2017_cis-anti-cis__pyridyl-substituted_bis-pyrrolidine_hexa-adducts_Azmani, KhalidADF; 2016Geometry optimizationDFTTZP-50.23202383; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54272213; Eh
thumbnail.jpeg5-Dec-2016th@c82_ipr6Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.49173517; Eh
thumbnail.jpeg5-Dec-2016th@c82_ipr5Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.49249781; Eh
Results 21-30 of 48 (Search time: 0.001 seconds).