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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Dec-2016Mo132_HCOOMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_CH3COOMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_CO3Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_H2PO2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016W132_muS2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_(mu-S)2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016W72Mo60_muO2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016W132_muOmuSMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_HSO4Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_SeO4Melgar, DoloresADF; 2012; 01Single pointDFTTZP-
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