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Showing results 21 to 40 of 216 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-May-20234_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--406.03306542; Eh
thumbnail.jpeg3-May-20234_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-404.59117641; Eh
thumbnail.jpeg3-May-20234_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--406.10575857; 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_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--306.97910667; Eh
thumbnail.jpeg3-May-20235_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-305.70218612; Eh
thumbnail.jpeg3-May-20235_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--307.05281415; 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-20236_Bipy_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--900.34441225; 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_Bipy_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--900.40783829; Eh
thumbnail.jpeg3-May-20236_Bipy_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-897.03117127; Eh
thumbnail.jpeg3-May-20236_DMAP_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--787.51502107; Eh
thumbnail.jpeg3-May-20236_DMAP_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-784.51883987; Eh
thumbnail.jpeg3-May-20236_DMAP_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--787.57717767; Eh
thumbnail.jpeg3-May-20236_DMAP_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-784.58223664; Eh
thumbnail.jpeg3-May-20236_OTf_gas_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--1366.17196147; Eh
thumbnail.jpeg3-May-20236_OTf_gas_spMulks, FlorianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)aug-cc-pVTZ; aug-cc-pVTZ/C-1363.27061102; Eh
thumbnail.jpeg3-May-20236_OTf_hessMulks, FlorianOrca; 5.0.3; RELEASESingle point MinimumDFT--1366.18077487; 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
Showing results 21 to 40 of 216 < previous   next >