1. Barcelona Supercomputing Center

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 193379 to 193398 of 318554 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_3bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3323.21443629; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_3cHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3323.21365170; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_3dHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3323.21240309; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_3eHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3323.21081825; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_4aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3438.96841016; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_4bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3438.96885333; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_4cHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3438.97003765; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_4dHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3438.96946662; Eh
thumbnail.jpeg17-Nov-2021/3-Bromoquinoline_Clusters/MeOH_Clusters 3-Bromoquinoline_MeOH_4eHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3438.96701995; Eh
Showing results 193379 to 193398 of 318554 < previous   next >