El Agente Quntur is a new multi-agent system that uses reasoning over literature and software documentation to autonomously handle the full workflow of quantum chemistry experiments in ORCA.
geometry section: * xyzfile 0 1 acetic_acid_opt.xyz for AcOH, * xyzfile -1 1 acetate_opt.xyz for AcO–
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El Agente Quntur: A research collaborator agent for quantum chemistry
El Agente Quntur is a new multi-agent system that uses reasoning over literature and software documentation to autonomously handle the full workflow of quantum chemistry experiments in ORCA.