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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020HI1ctBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.38211325; Eh
thumbnail.jpeg7-Jul-2020HI2btBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.39201128; Eh
thumbnail.jpeg7-Jul-2020R1tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9672.05725859; Eh
thumbnail.jpeg7-Jul-2020HI1btBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.38206371; Eh
thumbnail.jpeg7-Jul-2020HTS1bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.36759151; Eh
thumbnail.jpeg7-Jul-2020HI2atBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.39741685; Eh
thumbnail.jpeg7-Jul-2020HI2ctBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.43485636; Eh
thumbnail.jpeg7-Jul-2020HI1atBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.38289221; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-nch33_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-307.140907243; Eh
thumbnail.jpeg7-Jul-2020I1tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-10019.8168520; Eh
Results 271-280 of 406 (Search time: 0.003 seconds).