OrcaQuest Lab V2.2.3: An Integrated Graphical Platform for ORCA-Based Computational Chemistry, Molecular Analysis, Visualization, and Surface Studies
OrcaQuest Lab (OQL) V2.2.3 is an updated integrated graphical computational-chemistry environment developed around the ORCA quantum-chemistry package. It connects molecular preparation, ORCA input generation and job execution, output parsing, molecular-property analysis, visualization, and chemical interpretation withi...