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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg22-Nov-2022DMA_C2-C6_35_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1758.81468393; Eh
thumbnail.jpeg22-Nov-2022OCH3_C2-C6_33_product_MN15_def2-SVPAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15DEF2SVP-1720.02742720; 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-C6_3_5_TS1_MN15_def2-QZVPP_SMD_chloroform_DLNPO-CCSDT_SINAhmed, YusefOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-QZVPP; def2-QZVPP/C-1754.36410020; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_3_5_TS1_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINTAhmed, YusefOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-QZVPP; def2-QZVPP/C-1754.35523638; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_3_5_product_MN15_def2-QZVPP_SMD_chloroform_DLNPO-CCSDTAhmed, YusefOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-QZVPP; def2-QZVPP/C-1754.43340362; Eh
thumbnail.jpeg22-Nov-2022DMA_C2-C6_3_5_product_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINAhmed, YusefOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-QZVPP; def2-QZVPP/C-1754.42628794; Eh
Results 61-70 of 243 (Search time: 0.001 seconds).