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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Dec-2016Mo132_SeO4Melgar, DoloresADF; 2012; 01Single pointDFTTZP-
thumbnail.jpeg15-Dec-2016W132_muO2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_CH2CHCOOMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_muO_muSMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg15-Dec-2016Mo132_muO2Melgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg13-Dec-2016positivemodel_FMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016fullcapsule_HCO3Melgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016positivemodel_EMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016negativemodel_H2PO2Melgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016positivemodel_SO3Melgar, DoloresADF; 2012; 01Single pointDFT--
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