Evidence map›Paper›PMID 38954083›Full record

ArticleJournal of fluorescence2025

Quantum Computational and Spectroscopic Investigation of 3-aminosalicylic Acid.

Shahid Husain, Nupur Pandey, Nisha Fatma, Sanjay Pant, Mohan Singh Mehata

Abstract read
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In one paragraph

Article in Journal of fluorescence, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
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

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.

3 · Its place in the literature

Who cites it

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.

Shahid HusainPhotophysics Laboratory, Department of Physics, Centre of Advanced Study, DSB Campus, Kumaun University, Nainital, 263002, India.
Nupur PandeyPhotophysics Laboratory, Department of Physics, Centre of Advanced Study, DSB Campus, Kumaun University, Nainital, 263002, India.
Nisha FatmaPhotophysics Laboratory, Department of Physics, Centre of Advanced Study, DSB Campus, Kumaun University, Nainital, 263002, India.
Sanjay PantPhotophysics Laboratory, Department of Physics, Centre of Advanced Study, DSB Campus, Kumaun University, Nainital, 263002, India. sanjayphotophys@gmail.com.
Mohan Singh MehataLaser Spectroscopy Laboratory, Department of Applied Physics, Delhi Technological University, Bawana Road, Delhi, 110042, India. msmehata@gmail.com.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Quantum chemical calculations of 3-aminosalicylic acid (3ASA) (monomer and dimer forms) have been performed using DFT and TD-DFT theories with B3LYP/6-311 G(d,p) functional level in the ground and excited states. Using TD-DFT with IEF-PCM model, the electronic spectra of 3ASA in solvents were computed and correlated with the experimental data. The theoretically calculated absorption and emission maxima of 3ASA (monomer) are observed in the range of 343 - 347 nm (S

Indexed as

3ASADFT/TD-DFTDimerElectronic spectraNBO parametersNLO properties

Identifiers

PMID38954083

What OpenQuestion holds

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Registered trials

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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.