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Showing results 41 to 60 of 484 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-May-20236_Py_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--653.79523581; Eh
thumbnail.jpeg3-May-20236_Py_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-651.36291274; Eh
thumbnail.jpeg3-May-20236_Py_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--653.86158122; Eh
thumbnail.jpeg3-May-20236_Py_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-651.43041187; Eh
thumbnail.jpeg3-May-20236_TMU_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--787.73960191; Eh
thumbnail.jpeg3-May-20236_TMU_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-784.79785640; Eh
thumbnail.jpeg3-May-20236_TMU_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--787.80298781; Eh
thumbnail.jpeg3-May-20236_TMU_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-784.86207966; Eh
thumbnail.jpeg3-May-20237_Bipy_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--801.29051186; Eh
thumbnail.jpeg3-May-20237_Bipy_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-798.08401948; Eh
thumbnail.jpeg3-May-20237_Bipy_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--801.35278228; Eh
thumbnail.jpeg3-May-20237_Bipy_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-798.14740805; Eh
thumbnail.jpeg3-May-20237_DMAP_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--688.44848024; Eh
thumbnail.jpeg3-May-20237_DMAP_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-685.61942681; Eh
thumbnail.jpeg3-May-20237_DMAP_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--688.51142910; Eh
thumbnail.jpeg3-May-20237_DMAP_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-685.68340228; Eh
thumbnail.jpeg3-May-20237_OTf_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle pointDFT--1267.10376449; Eh
thumbnail.jpeg3-May-20237_OTf_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-1264.36973475; Eh
thumbnail.jpeg3-May-20237_OTf_hessMulks, FlorianOrca; 5.0.3; RELEASESingle pointDFT--1267.14778512; 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
Showing results 41 to 60 of 484 < previous   next >