Evidence map›Paper›PMID 32526931›Full record

ArticleMolecules (Basel, Switzerland)2020

An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation.

Ibon Alkorta, Arnaldo F Silva, Paul L A Popelier

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing 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

6 citing papers in PubMed.

  1. Article
  2. Article
  3. How to Compute Atomistic Insight in DFT Clusters: The REG-IQA Approach.Journal of chemical information and modeling · 2023
    Article
  4. Solid-StateInorganic chemistry · 2023
    Article
  5. Article
  6. Interacting Quantum Atoms-A Review.Molecules (Basel, Switzerland) · 2020
    Review
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

3 authors.

Ibon AlkortaInstituto de Química Médica (CSIC), Juan de la Cierva, 3., 28006 Madrid, Spain.ORCID 0000-0001-6876-6211
Arnaldo F SilvaManchester Institute of Biotechnology (MIB), 131 Princess Street, M1 7DN Manchester, UK.ORCID 0000-0002-4861-1623
Paul L A PopelierManchester Institute of Biotechnology (MIB), 131 Princess Street, M1 7DN Manchester, UK.ORCID 0000-0001-9053-1363

Funding

Engineering and Physical Sciences Research Council EP/K005472
6 · The paper itself

Abstract

Energy profiles of seven halogen-bonded complexes were analysed with the topological energy partitioning called Interacting Quantum Atoms (IQA) at MP4(SDQ)/6-31+G(2d,2p) level of theory. Explicit interatomic electron correlation energies are included in the analysis. Four complexes combine X

Indexed as

Chemistry, PhysicalElectronsQuantum TheoryHalogensModels, MolecularNitrogenHalogensNitrogencovalencyelectron correlationhalogen bondingInteracting Quantum Atoms (IQA)Møller-Plesset (MP)Quantum Chemical Topology (QCT)Relative Energy Gradient (REG)

Identifiers

PMID32526931
PMCPMC7321288

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.