1. Barcelona Supercomputing Center

Browsing by Author Renningholtz, Tim

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 1 to 20 of 80  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Mar-2025opt_freq_anion_1Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-463.58689108837234; -463.62034615790128; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_1Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-463.47134869669753; -463.51360452296558; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_10Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-882.31268439002895; -882.37860488052547; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_10Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-882.43538336039717; -882.48879453073346; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_11Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-459.86577599890916; -459.90513418184082; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_11Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-459.98381348975607; -460.01117899287675; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_12Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-420.54511024614141; -420.56602229045563; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_12Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-420.64740488806325; -420.67183943566346; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_13Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-418.43182389261756; -418.45443102490873; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_13Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-418.32574041134478; -418.34613650737430; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_2Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-346.78360370214318; -346.80929337600543; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_2Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-346.67946499183699; -346.70018295509556; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_3Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-386.11022765099904; -386.14619673258579; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_3Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-386.01276831540383; -386.03641633097465; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_4Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-464.78030605319037; -464.81932027196814; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_4Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-464.68132932214439; -464.71137264929973; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_5Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-386.11820262015840; -386.14602025353804; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_5Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-386.01311696370658; -386.03675315991160; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_6Renningholtz, TimOrca; 6.0.1; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-346.78429032750336; -346.80953450524106; Eh; Eh
thumbnail.jpeg27-Mar-2025opt_freq_anion_6Renningholtz, TimOrca; 6.0.0; RELEASEGeometry optimization Minimum; Single pointDFTdef2-tzvpd-346.67850544517518; -346.69919707686483; Eh; Eh
Showing results 1 to 20 of 80  next >