Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Feb-2017/C2v(1809)-C60 C2v(1809)-C60H2_(2)Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-19.42653029; Eh
thumbnail.jpeg12-Sep-2017/Gaussian09_calculations/opt SIII_optRoser, MoralesGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d,p); SDD-4002.85870815; Eh
Login required2-Feb-2017/D5h(271)-C50 D5h(271)-C50H12Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.75627594; Eh
Login required2-Feb-2017/D5h(271)-C50 Ca@D5h(271)-C50H12Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-17.75627594; Eh
Login required2-Feb-2017/C2v(4059)-C66 C2v(4059)-C66Cl10Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-21.91728344; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_ox1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.32829118; Eh
thumbnail.jpeg5-Dec-2016th@c82_app1_39706Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.44428706; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_frequencies th@c82_ipr8_freqRoser, MoralesADF; 2013; 01Single point MinimumDFTTZP-
thumbnail.jpeg12-Sep-2017/Gaussian09_calculations/opt SIII_ramanRoser, MoralesGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureUBP866-31g(d,p); SDD-4002.85950655; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_red1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.64697629; Eh
Results 11-20 of 48 (Search time: 0.0 seconds).