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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-213.768332517; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I2a_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1328.40538715; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I1a_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1328.39694280; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1f_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1328.37030007; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1e_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1328.37450409; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_Theosilane_in_THF TheosilanolFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--826.183638087; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T6a_H2HOSiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1403.67680166; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T4a_H2HOSiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1403.67988937; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1d_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1328.37481881; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1c_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1328.37452428; Eh
Results 1611-1620 of 12842 (Search time: 0.004 seconds).