1. Barcelona Supercomputing Center

Browsing by Subject Quantum Chemistry

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 3 of 3
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-20193_layer_IPMukherjee, MadhubaniOrca; 4.0; CURRENTSingle pointRHF; HFFRAGMENTINTERACTION--18158.43963682; Eh
thumbnail.jpeg14-Nov-20193_layer_IPMukherjee, MadhubaniOrca; 4.0; CURRENTSingle pointRHF; HFFRAGMENTINTERACTION--18158.43963682; Eh
thumbnail.jpeg14-Nov-20193_layer_IP_input_and_outputsMukherjee, MadhubaniOrca; 4.0; CURRENTSingle pointRHF; HFFRAGMENTINTERACTION--18158.43963682; Eh
Showing results 1 to 3 of 3