ArticleChemical science2022
Extending conceptual DFT to include external variables: the influence of magnetic fields.
Article in Chemical science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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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.
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Who cites it
5 citing papers in PubMed.
- An analysis method including orbital overlap directions for predicting π electron properties and reactivity vectors.Nature communications · 2025Article
- Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT.Physical chemistry chemical physics : PCCP · 2024Article
- Semiempirical Methods for Molecular Systems in Strong Magnetic Fields.Journal of chemical theory and computation · 2023Article
- From Density Functional Theory to Conceptual Density Functional Theory and Biosystems.Pharmaceuticals (Basel, Switzerland) · 2022Article
- Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms.Chemical science · 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
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
An extension of conceptual DFT to include the influence of an external magnetic field is proposed in the context of a program set up to cope with the ever increasing variability of reaction conditions and concomitant reactivity. The two simplest global reactivity descriptors, the electronic chemical potential (
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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.