ArticleJournal of computational chemistry2022
A computational approach for modeling electronic circular dichroism of solvated chromophores.
Article in Journal of computational chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 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
12 citing papers in PubMed.
- Chiral HPLC Separation of Phosphonothrixin and Phosphonate Derivatives and Electronic Circular Dichroism Characterization of the Isolated Enantiomers.Electrophoresis · 2026Article
- Acid/Base-Responsive Circularly Polarized Luminescence Emitters with Configurationally Stable Nitrogen Stereogenic Centers.Advanced materials (Deerfield Beach, Fla.) · 2025Article
- Revisiting the "Cluster-In-Solvent" Approach for Computational Spectroscopy: The Vibrational Circular Dichroism as a Test Case.Journal of computational chemistry · 2025Article
- Study of the Photoinduced Charge Injection in the Reaction Intermediate of the Dehydrogenation of Formic Acid on Palladium.Journal of computational chemistry · 2025Article
- The Immunosuppressive Properties of Cyclo-[Pharmaceutics · 2024Article
- Article
- What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected AuACS nano · 2023Article
- Theoretical-Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method.Molecules (Basel, Switzerland) · 2023Article
- The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral AuThe journal of physical chemistry letters · 2023Article
- A computational approach for modeling electronic circular dichroism of solvated chromophores.Journal of computational chemistry · 2022Article
- Adhesion of Bis-Salphen-Based Coordination Polymers to Graphene: Insights from Free Energy Perturbation Study.Polymers · 2022Article
- Tailoring the interaction between a gold nanocluster and a fluorescent dye by cluster size: creating a toolbox of range-adjustable pH sensors.Nanoscale advances · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The present study consists in a novel computational protocol to model the UV-circular dichroism spectra of solvated species. It makes use of quantum-chemical calculations on a series of conformations of a flexible chromophore or on a series of chromophore/solvent clusters extracted from molecular dynamic simulations. The protocol is described and applied to the aqueous cationic tripeptide GAG
Indexed as
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.