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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020TS6tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10894.1303108; Eh
thumbnail.jpeg7-Jul-2020NTs_tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* GENECP-874.183417106; Eh
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-2020HTS1cBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-9867.36990472; Eh
thumbnail.jpeg7-Jul-2020HTS1aBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-9867.36746667; Eh
thumbnail.jpeg7-Jul-2020MECP1t_aBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G* SDD GENECP-10019.8203020; Eh
thumbnail.jpeg7-Jul-2020HTS1bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.36759151; Eh
Results 1-10 of 32 (Search time: 0.001 seconds).