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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019TBDArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-438.550622380; Eh
thumbnail.jpeg18-Mar-2019Methyl_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-439.990828453; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_with_ureaArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-474.720111130; Eh
thumbnail.jpeg18-Mar-2019Methyl_MePhenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-425.138318482; Eh
thumbnail.jpeg18-Mar-2019MethanolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-115.664545044; Eh
thumbnail.jpeg18-Mar-2019Concerted_ax_proton_transfer_with_methanolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-517.754422400; Eh
thumbnail.jpeg19-Mar-2021Na2-I2Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.59398721; Eh
thumbnail.jpeg19-Mar-2021Fe-anisole-TMP-HMDSMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1751.86602443; Eh
thumbnail.jpeg19-Mar-2021Na2-2-anisole-2TMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1834.93636747; Eh
thumbnail.jpeg19-Mar-2021Na-toluene-TMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-842.240010456; Eh
Results 21-30 of 1082 (Search time: 0.002 seconds).