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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022SH_C2-C6_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-2287.28023147; Eh
thumbnail.jpeg22-Nov-2022NH2_C4_35_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1546.62955837; Eh
thumbnail.jpeg22-Nov-2022DMA_C5_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1625.03998622; Eh
thumbnail.jpeg22-Nov-2022NH2_C2-C5_33_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15DEF2SVP-1601.85097902; Eh
thumbnail.jpeg22-Nov-2022DMA_C6_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.11748067; Eh
thumbnail.jpeg22-Nov-2022Parent_35_INT_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-1491.40274221; Eh
thumbnail.jpeg22-Nov-2022Parent_33_product_MN15_def2-SVP_SMDAhmed, YusefGaussian; 16; EM64M-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-1491.42934210; Eh
thumbnail.jpeg22-Nov-2022SCH3_C2-C6_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-2365.72371185; Eh
thumbnail.jpeg22-Nov-2022DMA_lpN_pi_star_NBO_standard_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03Single point StructureRMN15DEF2SVP-212.0895694; Eh
thumbnail.jpeg22-Nov-2022Parent_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP-1491.40281362; Eh
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