periselectivity

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-191
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegDMA_C1_35_TS1_MN15_def2SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.03998622; Eh
thumbnail.jpegDMA_C5_35_TS2_MN15_def2SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.03998622; Eh
thumbnail.jpegDMA_C1_3_5_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.02450493; Eh
thumbnail.jpegDMA_C5_3_5_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.03998622; Eh
thumbnail.jpegNH2_C2-C6_35_INT_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1601.89928747; Eh
thumbnail.jpegOCH3_C2_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1605.67946941; Eh
thumbnail.jpegDMA_C3_35_INT_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.09110525; Eh
thumbnail.jpegDMA_C7_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.11837676; Eh
thumbnail.jpegDMA_C8_35_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.03930585; Eh
thumbnail.jpegSCH3_C2_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1928.56331098; Eh
thumbnail.jpegSH_C2-C5_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-2287.27065037; Eh
thumbnail.jpegOCH3_C2_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1605.71734159; Eh
thumbnail.jpegDMA_C6_33_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.04951088; Eh
thumbnail.jpegParent_35_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03RMN15DEF2SVP-1491.34956106; Eh
thumbnail.jpegNH2_C2_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1546.62955872; Eh
thumbnail.jpegParent_35_TS1_MN15_def2-SVP_SMDAhmed, YusefGaussian; 16; EM64M-G16RevA.03RMN15DEF2SVP-1491.39098581; Eh
thumbnail.jpegDMA_C2_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.10085801; Eh
thumbnail.jpegDMA_C7_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1625.10942402; Eh
thumbnail.jpegOH_C4_33_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2SVP-1566.47524837; Eh
thumbnail.jpegDMA_C2-C6_35_TS2_MN15_def2-QZVPP_gasAhmed, YusefGaussian; 16; ES64L-G16RevC.01RMN15DEF2QZVPP-1760.65546722; Eh
Collection's Items (Sorted by in order): 1 to 20 of 243
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