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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2019Mo-12Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2225.51276459; Eh
thumbnail.jpeg27-Aug-2019Mo-14Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2381.62157317; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-12-13-LiArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1786.86313790; Eh
thumbnail.jpeg19-Mar-2021Na2-I1Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.59733711; Eh
thumbnail.jpeg19-Mar-2021Na2-RMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2686.37109068; Eh
thumbnail.jpeg27-Aug-2019Mo-11Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2381.62106693; Eh
thumbnail.jpeg27-Aug-2019Mo-10Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2381.62971876; Eh
thumbnail.jpeg27-Aug-2019Mo-4-gas-tripletArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31+G** GENECP-2487.77743547; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-3-5Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1825.91596462; Eh
thumbnail.jpeg24-Jun-2019Mo-9b-alt1Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31+G**-1979.74036353; Eh
Results 21-30 of 484 (Search time: 0.002 seconds).