Browsing by Author Fianchini, Mauro

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Showing results 21 to 40 of 343 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K HHOSiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--829.259149828; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K HO2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--904.562132609; 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_+_H2SiPh2_in_toluene/Toluene_373K I2_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1559.46289387; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K I3_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1634.75604785; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K I5_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1634.76518164; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T1_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.44236637; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T2_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.45399422; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T3_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.43417141; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T4_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1634.74092883; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T5_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1634.75456893; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T6_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1634.73708958; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene (HO)3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--748.805416614; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene H(HO)2SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--673.500825054; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene H2(HO)SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--598.199902372; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--522.907769730; 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 I2a_H3SiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1328.40538715; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I3a_H2HOSiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1403.69608643; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H3SiPh_in_toluene I4a_H2HOSiPhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1403.70547947; Eh