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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022Parent_33_product_MN15_def2-SVP_SMDAhmed, YusefGaussian; 16; EM64M-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-1491.42934210; Eh
thumbnail.jpeg22-Nov-2022phenyl_C4_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1721.98612542; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_33_product_MN15_def2-QZVPP_gasAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2QZVPP-1760.67814934; Eh
thumbnail.jpeg22-Nov-2022DMA_C3_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.09801611; Eh
thumbnail.jpeg22-Nov-2022SH_C2-C6_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-2287.28023147; Eh
thumbnail.jpeg22-Nov-2022DMA_C4_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.10085801; Eh
thumbnail.jpeg22-Nov-2022Parent_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-1491.40281362; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_Pd_coordination_coord_to_N_on_C6_MN15_def2-SVPAhmed, YusefGaussian; 16; EM64M-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-1758.79233251; Eh
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
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