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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022SH_C2-C5_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-2287.27065037; Eh
thumbnail.jpeg22-Nov-2022SCH3_C2_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1928.56331098; Eh
thumbnail.jpeg22-Nov-2022DMA_C7_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.11837676; Eh
thumbnail.jpeg22-Nov-2022NH2_C2-C6_35_INT_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1601.89928747; Eh
thumbnail.jpeg22-Nov-2022OCH3_C2_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1605.71734159; Eh
thumbnail.jpeg22-Nov-2022DMA_C3_35_INT_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.09110525; Eh
thumbnail.jpeg22-Nov-2022DMA_C8_35_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1625.03930585; Eh
thumbnail.jpeg22-Nov-2022OCH3_C2_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1605.67946941; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_35_TS2_MN15_def2-QZVPP_gasAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2QZVPP-1760.65546722; Eh
thumbnail.jpeg22-Nov-2022DMA_C7_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.10942402; Eh
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