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Tunning the optical properties of a photocatalytic metal–organic framework by means of molecular modelling

2022· article· en· 13 citations· W4312749796 on OpenAlex· 10.1039/d2nj04532j

Why is this work in the frame?

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

Canadian affiliationAn author listed a Canadian institution. This is the only route the usual frame has.

The three-model screen

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All three models called this out of scope.

stratum: aff_core · design weight: 5595.24 (the sample is stratified; any rate computed without the weight is wrong)
Claude Opus 4.8OUT
genre: empirical
about Canada: no
confidence: high

Molecular modelling to tune the optical properties of a photocatalytic metal-organic framework; a chemistry question.

GPT-5.6 (high)OUT
genre: conceptual
about Canada: no
confidence: high

It models optical properties of a photocatalytic material, not research practice.

Grok 4.5OUT
genre: empirical
about Canada: no
confidence: high

Computational chemistry of MOF optical/photocatalytic properties; domain materials chemistry.

Abstract

A theoretical-computational protocol was performed to understand the optical properties, the substituent effect, and the deactivation mechanisms of a photocatalytic MOF.

Stored with the screening record, where it is evidence for the labels above.

The record

Venue
New Journal of Chemistry
Topic
Metal-Organic Frameworks: Synthesis and Applications
Field
Chemistry
Canadian institutions
Toronto Metropolitan University
Funders
Fondo de Financiamiento de Centros de Investigación en Áreas PrioritariasFondo Nacional de Desarrollo Científico y TecnológicoAgencia Nacional de Investigación y Desarrollo
Keywords
ChemistryPhotocatalysisSubstituentMetal-organic frameworkMetalProtocol (science)NanotechnologyPhysical chemistryOrganic chemistryCatalysis
Has abstract in OpenAlex
yes