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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Sep-2017/Gaussian09_calculations/opt SI_ramanRoser, MoralesGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureUBP866-31g(d,p); SDD-4002.85874846; Eh
thumbnail.jpeg12-Sep-2017/Gaussian09_calculations/opt SI_optRoser, MoralesGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d,p); SDD-4002.85870815; Eh
thumbnail.jpeg12-Sep-2017/Gaussian09_calculations/opt SIII_optRoser, MoralesGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d,p); SDD-4002.85870815; Eh
thumbnail.jpeg12-Sep-2017/Gaussian09_calculations/opt SIII_ramanRoser, MoralesGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureUBP866-31g(d,p); SDD-4002.85950655; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.52517243; Eh
Login required30-Jan-2017/U@C74/U@C74_opt U@C74_1_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-23.93615062; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54272213; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.53972430; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54172949; Eh
Results 1-9 of 9 (Search time: 0.001 seconds).