1. Barcelona Supercomputing Center

Browsing by Author Haack, Alexander

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Showing results 1 to 20 of 249  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/ACN_Clusters 3-Bromoquinoline_ACN_1aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3108.72932812; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/ACN_Clusters 3-Bromoquinoline_ACN_1bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3108.71163857; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/ACN_Clusters 3-Bromoquinoline_ACN_2aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50772352; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/ACN_Clusters 3-Bromoquinoline_ACN_2bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50761826; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/ACN_Clusters 3-Bromoquinoline_ACN_2cHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50917842; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/ACN_Clusters 3-Bromoquinoline_ACN_2dHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50597100; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/ACN_Clusters 3-Bromoquinoline_ACN_3aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3374.28374381; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_1aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3052.40094343; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_2aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3128.86205467; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_2bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3128.86343344; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_2cHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3128.85658480; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_2dHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3128.86356473; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_3aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3205.31844334; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_3bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3205.31703665; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/H2O_Clusters 3-Bromoquinoline_H2O_3cHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3205.32179477; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_1aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3091.69978363; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_2aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3207.45978500; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_2bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3207.45818512; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_2cHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3207.45301756; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_3aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3323.21619474; Eh
Showing results 1 to 20 of 249  next >