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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Dec-2016negativemodel_DMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016positivemodel_SO3Melgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016fullcapsule_CH3COOMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016positivemodel_BMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016negativemodel_SO3Melgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016fullcapsule_CH2CHCOOMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016fullcapsule_HCO3Melgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016positivemodel_FMelgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016negativemodel_SeO4Melgar, DoloresADF; 2012; 01Single pointDFT--
thumbnail.jpeg13-Dec-2016positivemodel_AMelgar, DoloresADF; 2012; 01Single pointDFT--
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