Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022Parent_33_TS_MN15_def2-SVP_SMDAhmed, YusefGaussian; 16; EM64M-G16RevA.03Geometry optimization TSRMN15DEF2SVP-1491.39353188; 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-2022phenyl_C4_35_TS2_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1721.93600917; 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-2022OCH3_C2_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1605.72312479; Eh
thumbnail.jpeg22-Nov-2022CH3_C4_35_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1530.58645412; Eh
thumbnail.jpeg22-Nov-2022phenyl_C4_35_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1721.93196882; Eh
thumbnail.jpeg22-Nov-2022phenyl_C4_33_TS1_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15DEF2SVP-1721.94800458; Eh
thumbnail.jpeg22-Nov-2022DMA_C2_35_reactant_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1625.10139632; Eh
Results 41-50 of 229 (Search time: 0.001 seconds).