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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022DMA_C8_33_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1625.04814246; Eh
thumbnail.jpeg22-Nov-2022SH_C2-C5_33_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15DEF2SVP-2287.21440531; Eh
thumbnail.jpeg22-Nov-2022OCH3_C4_35_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1605.67947008; Eh
thumbnail.jpeg22-Nov-2022NH2_C2-C5_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1601.87208627; Eh
thumbnail.jpeg22-Nov-2022OCH3_C2_33_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1605.67168316; Eh
thumbnail.jpeg22-Nov-2022DMA_C4_35_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1625.06440360; Eh
thumbnail.jpeg22-Nov-2022DMA_C7_33_TS_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1625.04125737; Eh
thumbnail.jpeg22-Nov-2022DMA_C3_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1625.03359591; Eh
thumbnail.jpeg22-Nov-2022DMA_C7_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1625.04121440; Eh
thumbnail.jpeg22-Nov-2022CH3_C4_35_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1530.58645412; Eh
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