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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022DMA_C2-C6_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1758.79359988; Eh
thumbnail.jpeg22-Nov-2022OH_C4_35_INT_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1566.47173829; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1758.81468393; Eh
thumbnail.jpeg22-Nov-2022OCH3_C2-C6_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1720.02742720; Eh
thumbnail.jpeg22-Nov-2022DMA_C2_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.10139632; Eh
thumbnail.jpeg22-Nov-2022OCH3_C4_33_INT_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1605.69805556; Eh
thumbnail.jpeg22-Nov-2022Parent_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-1491.41337613; Eh
thumbnail.jpeg22-Nov-2022DMA_C4_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.09638221; Eh
thumbnail.jpeg22-Nov-2022SH_C2-C5_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; EM64M-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-2287.27781571; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_33_product_MN15_def2-QZVPP_SMD_chloroformAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2QZVPP-1760.72491361; Eh
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