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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I5_HHO2SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T10a_HHO2SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1478.98102673; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF I3_TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1556.38576428; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF T4_TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1556.36556862; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF I2_TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1556.37441835; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF T3_TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1556.37288534; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF T1_TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1556.36589780; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF I1_TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1556.37655723; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--750.879678346; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ofenofecl2sextup_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1274.2784834; Eh
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