ArticleACS omega2025
Effect of Molecular Structure on the B3LYP-Computed HOMO-LUMO Gap: A Structure -Property Relationship Using Atomic Signatures.
Article in ACS omega, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
10 citing papers in PubMed.
- DFT based photophysical assessment of 2-substituted-3-(pyridin-2-yl)-benzo-[d][1,3]-azaphosphole P-oxide for organic optoelectronic applications.Scientific reports · 2026Article
- In Silico Profiling of Phytochemicals for Modulating Amyloid Beta-Mediated Immune Regulation and Neuroinflammation in Alzheimer's Disease.ACS omega · 2026Article
- Predicting electronic properties of molecules: a stacking ensemble model for HOMO and LUMO energy estimation.RSC advances · 2026Article
- Spectrochemical, medicinal, and toxicological studies of moxifloxacin and its novel analogs: a quantum chemistry and drug discovery approach.RSC advances · 2026Article
- A dual functional inhibitory molecule to combat GyrA-ParC and associated mutants in fluoroquinolone-resistantFrontiers in bioinformatics · 2026Article
- A Phenotype-Driven Discovery of Pro-Revascularization Chalcone Derivatives Using Zebrafish and CAM Models.Journal of toxicology · 2026Article
- Article
- Design and Development of Sulfonamide-Chalcones as Antiepileptic Candidates: Computational and Zebrafish-Based Validation Approaches.ACS omega · 2025Article
- Comprehensive first-principles analysis and device simulations of vacancy-ordered DRSC advances · 2025Article
- DFT-ML-Based Property Prediction of Transition Metal Complex Photosensitizers for Photodynamic Therapy.ACS omega · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Compounds possessing a small highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap (
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.