{
  "abstract": "We report GXNU MolStudio, an open-source, bilingual (Chinese/English) desktop application that integrates real-time molecular visualization with a broad suite of quantum chemical analyses in a single interactive environment. MolStudio embeds a purpose-built OpenGL 3.3 renderer that presents molecules, orbitals, and property-colored isosurfaces in a publication-ready style, and couples it to scripted invocations of the external wavefunction analysis program Multiwfn. The current version provides 14 panels (11 analysis panels plus 3 workflow panels) covering: orbital browsing and isosurface generation (including spin-density visualization for open-shell systems); six atomic charge schemes (ADCH, Hirshfeld, Mulliken, CM5, SCPA, and VDD); Mayer bond orders; NBO donor–acceptor (E(2)) analysis; electrostatic potential (ESP) surfaces with extrema and surface-area distributions; IGMH/IRI weak-interaction analysis; QTAIM topology; ETS-NOCV energy decomposition; molecular planarity parameters (MPP); IRC energy/bond-order profiles; distortion–interaction (DI) decomposition; the energetic span model (ESM); and activation strain scans along the IRC (ASM), multi-CUB overlay, and IRC splitting. All panels share one canvas and one atomic-picking protocol, so that results from different analyses can be compared immediately on the same structure. A retained VMD/Tachyon channel delivers ray-traced journal-quality figures in more than 30 curated styles. MolStudio is distributed as Python source (PyQt5, Python ≥ 3.8) and as a standalone Windows executable, under the GNU General Public License, version 3 (GPLv3only). Its rendering pipeline is a Python port of the GPLv3-licensed IboView engine — a derivative relationship that is declared explicitly in Section 7 and itemized in the code repository — and all third-party components are credited. The software is freely available at https://cnb.cool/chem311/GXNU-MolStudio.",
  "abstract_shown": true,
  "affiliations": [
    "School of Chemistry and Pharmaceutical Sciences",
    "Guangxi Normal University"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 1,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Cheng Hou",
      "orcid": "0000-0003-2967-0326"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/8mhx8t8ggp1q5.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15009253/v1",
  "fulltext_url": null,
  "id": "8mhx8t8ggp1q5",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009253/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7213973127",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15009253/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-22",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/8mhx8t8ggp1q5.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:21Z",
      "native_id": "10.26434/chemrxiv.15009253",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009253/v2"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "openalex:3107|Advanced Chemical Physics Studies",
      "subfield": "amo"
    }
  ],
  "title": "GXNU MolStudio: An Integrated Open-Source Platform for Molecular Visualization and Quantum Chemical Analysis",
  "title_text": "GXNU MolStudio: An Integrated Open-Source Platform for Molecular Visualization and Quantum Chemical Analysis",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:21Z",
  "url": "https://research.draconitic.com/paper/8mhx8t8ggp1q5",
  "venue": "ChemRxiv",
  "versions": []
}