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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Jul-2015radicalP8_1Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-196.941584405; Eh
thumbnail.jpeg14-Jul-2015radicalP9_1Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-196.942344476; Eh
thumbnail.jpeg14-Jul-2015radicalP6_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-157.657317416; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts I_N_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-773.142368894; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts I_W_W_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-712.244483121; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts I_W_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-635.799459011; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts I_N_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-696.697213463; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K I1_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1559.45529133; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_HSiPh3_in_toluene I1_HSiPh3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1790.51529563; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-nh3aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1573.028412; Eh
Results 1731-1740 of 12842 (Search time: 0.004 seconds).