ArticleJournal of molecular modeling2026
Substituent-controlled electronic redistribution and nonlinear optical response across the Ag-S interface in W@Ag
Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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
0 citing papers in PubMed.
No citing paper in PubMed yet.
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
contextAtomically precise silver nanoclusters provide well-defined inorganic platforms for molecular modeling of cluster-π interactions, but the relationships among terminal substitution, electronic redistribution across an Ag-S anchoring environment, and molecular nonlinear optical response remain insufficiently understood. Herein, W@Ag
methodsGeometry optimization, frequency analysis, frontier-orbital analysis, time-dependent density functional theory (TD-DFT) calculations, and static/dynamic NLO computations were performed using Gaussian 16. The long-range-corrected LC-BLYP functional was employed with aug-cc-pVDZ for non-metal atoms and aug-cc-pVDZ-PP effective-core-potential basis sets for Ag and W atoms. Hole-electron descriptors and orbital contributions were analyzed using Multiwfn, while frontier orbitals, hole-electron distributions, and density-difference maps were visualized using VESTA. Dynamic NLO responses were evaluated at 1064 nm.
Indexed as
Identifiers
42747506What 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.