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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Sep-2019Ce(eta2-O2)(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-9728.06114221; Eh
thumbnail.jpeg10-Sep-2019Nd(eta2-O2H)(OH)(NO3)2Bandeira, NunoOrca; 4.0.0.2; RELEASEGeometry optimization MinimumRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10593.89783682; Eh
thumbnail.jpeg10-Sep-2019Cis_NdO2(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10517.73071104; Eh
thumbnail.jpeg10-Sep-2019PrO(OH)(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimization MinimumRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10118.19440176; Eh
thumbnail.jpeg10-Sep-2019Pr(eta2-O2)(NO3)2Bandeira, NunoOrca; 4.0.0.2; RELEASEGeometry optimizationRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10117.54740489; Eh
thumbnail.jpeg10-Sep-2019PrO2(NO3)2Bandeira, NunoOrca; 4.0.0.2; RELEASEGeometry optimizationRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10117.47605704; Eh
thumbnail.jpeg10-Sep-2019Nd(OH)(NO3)3Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10722.77862890; Eh
thumbnail.jpeg10-Sep-2019Trans_NdO2(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10517.47828513; Eh
thumbnail.jpeg10-Sep-2019H2OBandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2AutoAux; ZORA-def2-TZVP-76.14488511; Eh
thumbnail.jpeg10-Sep-2019CeO(NO3)3Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-9932.52724464; Eh
Results 21-30 of 68 (Search time: 0.002 seconds).