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About: Jaguar (software)     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : yago:Software106566077, within Data Space : dbpedia.demo.openlinksw.com associated with source document(s)

Type: Thingsoftwareschema:CreativeWorkworkwikidata:Q386724Softwareyago:Abstraction100002137yago:Code106355894yago:CodingSystem106353757yago:Communication100033020yago:Writing106359877yago:WrittenCommunication106349220yago:Software106566077 New Facet based on Instances of this Class

Jaguar is a computer software package used for ab initio quantum chemistry calculations for both gas and solution phases. It is commercial software marketed by the company Schrödinger. The program was originated in research groups of Richard Friesner and William Goddard and was initially called PS-GVB (referring to the so-called pseudospectral generalized valence bond method that the program featured).