Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 107785 to 107798 of 107798 < previous 
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegvinylcarboanteKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D--728.984535755; Eh
thumbnail.jpegW132_muO2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpegW132_muOmuSMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpegW132_muS2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpegW72Mo60_muO2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpegW72Mo60_muO_muSMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpegW72Mo60_muS2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpegWater_gasFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--76.4207896597; Eh
thumbnail.jpegWater_solvFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--76.4253004768; Eh
thumbnail.jpeg/Yb2 Yb2González Fabra, JoanADF; 2013; 01Geometry optimizationDFTTZP; DZP-27.28845804; Eh
thumbnail.jpeg/YbLa YbLaGonzález Fabra, JoanADF; 2013; 01Geometry optimizationDFTTZP; DZP-27.47801425; Eh
thumbnail.jpeg/YbPr YbPrGonzález Fabra, JoanADF; 2013; 01Geometry optimizationDFTTZP; DZP-27.49216415; Eh
thumbnail.jpeg/Zn2Al12 Al12Zn2Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-20.64036361; Eh
thumbnail.jpeg/ZnAl12 ZnAl12Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-19.34891592; Eh