Evidence map›Paper›PMID 33502056›Full record

ArticleChemphyschem : a European journal of chemical physics and physical chemistry2021

Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects.

Francesco Sessa, Martina Olsson, Fredrik Söderberg, Fang Wang, Martin Rahm

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Chemphyschem : a European journal of chemical physics and physical chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Article
  2. Electronegativity Equilibration.The journal of physical chemistry. A · 2022
    Article
  3. In-Situ Electronegativity and the Bridging of Chemical Bonding Concepts.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021
    Article
  4. Article
  5. Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects.Chemphyschem : a European journal of chemical physics and physical chemistry · 2021
    Article
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.

Francesco SessaDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96, Gothenburg, Sweden.ORCID 0000-0002-7989-3790
Martina OlssonDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96, Gothenburg, Sweden.
Fredrik SöderbergDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96, Gothenburg, Sweden.
Fang WangDepartment of Chemistry, University of Rhode Island, 140 Flagg Road, Kingston, Rhode Island, 02881, USA.ORCID 0000-0002-9192-6858
Martin RahmDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96, Gothenburg, Sweden.ORCID 0000-0001-7645-5923

Funding

Carl Trygger Foundation 19:294Chalmers University of Technology and Chalmers Excellence Initiative NanoSwedish National Infrastructure for Computing (SNIC) at C3SESwedish Research Council 2018-05973
6 · The paper itself

Abstract

The quantum mechanically calculable Q descriptor is shown to be a potent quantifier of chemical reactivity in complex molecules - it shows a strong correlation to experimentally derived field effects in non-aromatic substrates and Hammett σ

Indexed as

chemical bondingchemical descriptorsenergy decomposition analysislinear free energy relationshipsreactivity prediction

Identifiers

PMID33502056
PMCPMC8049055

What OpenQuestion holds

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Registered trials

None linked

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.