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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2018Phenylphospholane_Toluene_373KFianchini, MauroGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--730.213305205; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenoZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2578.56146391; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I4a_H2HOSiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1403.70547947; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I3a_H2HOSiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1403.69608643; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1592.4309142; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-345.486797682; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T5a_H2HOSiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1403.69459114; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T2a_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1328.39552282; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1a_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1328.38089453; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--522.907769730; Eh
Results 1581-1590 of 12842 (Search time: 0.003 seconds).