XTB format

GPTKB entity

Statements (12)
Predicate Object
gptkbp:instanceOf file format
gptkbp:associatedWith xtb software
gptkbp:developedBy Grimme group
gptkbp:fileExtension .xtb
https://www.w3.org/2000/01/rdf-schema#label XTB format
gptkbp:numberOfLocations atomic coordinates
calculation parameters
molecular structure data
gptkbp:relatedTo GFN-xTB method
gptkbp:usedIn computational chemistry
gptkbp:bfsParent gptkb:Angular_i18n
gptkbp:bfsLayer 8