Evidence map›Paper›PMID 41670806›Full record

ArticleJournal of molecular modeling2026

Theoretical insights into charge transport and photophysical properties of conjugated azaphosphole scaffolds.

Muhammad Khalid Shabir, Muhammad Naveed Anjum, Muhammad Jawwad Saif, Khurshid Ayub, Basit Niaz

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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.

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0citing papers in PubMed
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1 · What the graph read from it

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.

2 · The registry

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

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0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Muhammad Khalid ShabirDepartment of Applied Chemistry, Government College University, Faisalabad, Pakistan.
Muhammad Naveed AnjumDepartment of Applied Chemistry, Government College University, Faisalabad, Pakistan.
Muhammad Jawwad SaifDepartment of Applied Chemistry, Government College University, Faisalabad, Pakistan.
Khurshid AyubDepartment of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, KPK, Pakistan.
Basit NiazDepartment of Chemistry, Hazara University, Mansehra, 21120, Pakistan. basitniaz@hu.edu.pk.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextEfficient hole-transport materials and robust blue emitters remain bottlenecks in organic optoelectronics. We computationally designed and screened π-extended benzazaphosphole derivatives (1-9) to clarify how donor/acceptor substitution and conjugation control charge transport, emission, and nonlinear optical (NLO) response.

methodsThe series exhibits narrowed frontier orbital gaps (≈2-3 eV) consistent with intra-molecular charge transfer, blue shifted S

Indexed as

Azaphosphole derivativesDensity functional theoryFrontier orbital energy gapHole-transport materialsNonlinear responseOrganic electronicsPhotophysical propertiesReorganization energyπ-Conjugated systems

Identifiers

PMID41670806

What OpenQuestion holds

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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.