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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-May-2019MorpholineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-287.626189587; Eh
thumbnail.jpeg18-Mar-2019Concerted_proton_transfer_with_methanolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-365.199855280; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_ax_with_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-802.799014198; Eh
thumbnail.jpeg18-Mar-2019Adduct_triphenylguanidine_2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2503.60792561; Eh
thumbnail.jpeg18-Mar-2019Adduct_triphenylguanidineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2503.60873435; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_with_trimethylphenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-674.685327185; Eh
thumbnail.jpeg18-Mar-2019FeH_(PNHP)Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1606.86520449; Eh
thumbnail.jpeg18-Mar-2019TriphenylguanidineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-897.907573168; Eh
thumbnail.jpeg18-Mar-2019UreaArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-225.176236451; Eh
thumbnail.jpeg10-May-2019Adduct_MorpholineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1893.29522220; Eh
Results 191-200 of 238 (Search time: 0.001 seconds).