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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-May-2023DMAP_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-379.91206911; Eh
thumbnail.jpeg3-May-2023BCF_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-2198.57405667; Eh
thumbnail.jpeg3-May-2023BCF-hydride_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle pointDFT--2204.67590896; Eh
thumbnail.jpeg3-May-20236_Bipy_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-896.97175464; Eh
thumbnail.jpeg3-May-20236_OTf_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-1363.28105064; Eh
thumbnail.jpeg3-May-20237_OTf_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-1264.44505007; Eh
thumbnail.jpeg3-May-20234_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-404.66469431; Eh
thumbnail.jpeg3-May-20235_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-305.77653366; Eh
thumbnail.jpeg3-May-2023hydride_ex34_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVQZ/C-0.60526668; Eh
thumbnail.jpeg3-May-20237_OTf_hessMulks, FlorianOrca; 5.0.3; RELEASESingle pointDFT--1267.14778512; Eh
Results 41-50 of 253 (Search time: 0.002 seconds).