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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan/Zoom/Relaxed_FAIL Relaxed_FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2026.86781029; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/TS_2 TS_2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2026.84493614; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Zoom_SmallBasis/GuessGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--2026.36329537; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/TS_M062X TS_M062XGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--2103.15659843; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/Glycidol GlycidolGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--268.296266125; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Scan_RO/Next NextGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---1953.52881933; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Scan_RO/Scan_2D Scan_2DGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---1953.07285749; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/CCSD/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2091.97714525; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/IC_M062X IC_M062XGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1838.18388589; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/Water WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--76.4198168837; Eh
Results 131-140 of 169 (Search time: 0.002 seconds).