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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Sep-2019trans_NdO(OH)2(NO3)2Bandeira, NunoOrca; 4.0.1.2; RELEASEGeometry optimizationRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10593.78208090; Eh
thumbnail.jpeg10-Sep-2019Nd(eta2-O2)(H2O)(NO3)2Bandeira, NunoOrca; 4.0.1.2; RELEASEGeometry optimizationRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10593.84297704; Eh
thumbnail.jpeg10-Sep-2019CeO2(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimization MinimumRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-9728.07894039; Eh
thumbnail.jpeg10-Sep-2019Ce(O)(OH)(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimization MinimumRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-9728.70595124; Eh
thumbnail.jpeg10-Sep-2019Ce(OH)(NO3)3Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-9933.14520932; Eh
thumbnail.jpeg10-Sep-2019cis_NdO2(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10517.72964142; Eh
thumbnail.jpeg10-Sep-2019PrO(NO3)3Bandeira, NunoOrca; 4.0.0.2; RELEASEGeometry optimizationRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10321.96392279; 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-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-2019Trans_NdO2(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10517.47828513; Eh
Results 1-10 of 27 (Search time: 0.001 seconds).