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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Nov-2021/bare_ions 3-AminoquinolineHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-457.65843652; 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.jpeg17-Nov-2021/Clonidine_Clusters/H2O_Clusters Clonidine_H2O_1aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-1509.96529009; Eh
thumbnail.jpeg17-Nov-2021/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-1780.78187607; Eh
thumbnail.jpeg17-Nov-2021/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_2fHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-1665.00715549; Eh
thumbnail.jpeg17-Nov-2021/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_2gHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-1665.00808434; Eh
thumbnail.jpeg17-Nov-2021/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-1780.78012752; Eh
thumbnail.jpeg17-Nov-2021/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4jHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-751.02743779; Eh
thumbnail.jpeg17-Nov-2021/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4lHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-751.03690976; Eh
thumbnail.jpeg17-Nov-2021/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4iHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-751.02453685; Eh
Results 1-10 of 178 (Search time: 0.001 seconds).