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Showing results 1 to 20 of 84  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-May-2025C_c+1_m2_53350263_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--37.32810383; Eh
Login required19-May-2025C_c+1_m2_53350263_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-37.29649101; Eh
Login required19-May-2025C_c+1_m4_53350264_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--37.14922668; Eh
Login required19-May-2025C_c+1_m4_53350264_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-37.16267237; Eh
Login required19-May-2025C_c+2_m1_53350265_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--36.41447160; Eh
Login required19-May-2025C_c+2_m1_53350265_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-36.40827236; Eh
Login required19-May-2025C_c+2_m3_53350266_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--36.20878250; Eh
Login required19-May-2025C_c+2_m3_53350266_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-36.23765320; Eh
Login required19-May-2025C_c+3_m2_53165194_optMulks, FlorianOrca; 6.0.0; RELEASESingle pointDFT--34.68925434450529; Eh
Login required19-May-2025C_c+3_m2_53165194_spMulks, FlorianOrca; 6.0.0; RELEASESingle pointCCSD(T)aug-cc-pVQZ; def2-TZVP/C; def2/J-34.72591823359284; Eh
Login required19-May-2025C_c+4_m1_53350337_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--32.31686009; Eh
Login required19-May-2025C_c+4_m1_53350337_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-32.36106681; Eh
Login required19-May-2025C_c-1_m2_53350255_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--37.69392702; Eh
Login required19-May-2025C_c-1_m2_53350255_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-37.67756875; Eh
Login required19-May-2025C_c-1_m4_53350256_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--37.77563519; Eh
Login required19-May-2025C_c-1_m4_53350256_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-37.70995053; Eh
Login required19-May-2025C_c-2_m1_53350257_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--37.29541085; Eh
Login required19-May-2025C_c-2_m1_53350257_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-37.37782918; Eh
Login required19-May-2025C_c-2_m3_53350260_optMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFT--37.35562886; Eh
Login required19-May-2025C_c-2_m3_53350260_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointCCSD(T)aug-cc-pVQZ; aug-cc-pVQZ/C-37.48430848; Eh
Showing results 1 to 20 of 84  next >