ArticleJournal of molecular modeling2024
A B3LYP-D3 computational study of electronic, structural and torsional dynamic properties of mono-substituted naphthalenes: the effect of the nature and position of substituent.
Article in Journal of molecular modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
6 citing papers in PubMed.
- Evaluating Pharmacokinetics and Toxicity of Potential Therapeutics Against Enterococcus faecalis in Endodontic Pathologies.Medical science monitor : international medical journal of experimental and clinical research · 2026Article
- From structural insight to molecule: Integrative molecular simulations identify candidate pyruvate kinase activators.PloS one · 2026Article
- Resonance-Enhanced Multiphoton Ionization Spectroscopy of Monocyclic and Polycyclic Aromatic Hydrocarbons in the Gas Phase.Rapid communications in mass spectrometry : RCM · 2025Article
- Article
- Computational Study on the Inhibition Mechanisms of the Ziegler-Natta Catalyst in the Propylene Polymerization Process: Part 1 Effects of Acetylene and Methylacetylene.International journal of molecular sciences · 2024Article
- Exploration of electronic and vibrational properties of sulfanilic acid through periodic and non-periodic DFT calculations.Journal of molecular modeling · 2024Article
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
contextThe effects of selected substituent groups (-CH
methodAll calculations were conducted within the Density functional theory (DFT) using the so-called dispersion-corrected B3LYP functional (B3LYP-D3) with the carefully selected 6-311 + + G(d,p) basis set. The B3LYP-D3/6-311 + + G(d,p) calculations were performed using the Gaussian 09 program, and the obtained results were visualized by employing the GaussView 6.0.16 program.
Indexed as
Identifiers
38421474What 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.