Evidence map›Paper›PMID 32054023›Full record

ArticleInternational journal of molecular sciences2020

Accurate Diels-Alder Energies and

Caroline Velez, Brian Doherty, Orlando Acevedo

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in International journal of molecular sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. The Physical Chemistry and Chemical Physics (PCCP) Section of theInternational journal of molecular sciences · 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

3 authors.

Caroline VelezDepartment of Chemistry, University of Miami, Coral Gables, FL 33146, USA.
Brian DohertyDepartment of Chemistry, University of Miami, Coral Gables, FL 33146, USA.
Orlando AcevedoDepartment of Chemistry, University of Miami, Coral Gables, FL 33146, USA.

Funding

National Science Foundation CHE-1562205
6 · The paper itself

Abstract

Our recently developed optimized potentials for liquid simulations-virtual site ionic liquid (OPLS-VSIL) force field has been shown to provide accurate bulk phase properties and local ion-ion interactions for a wide variety of imidazolium-based ionic liquids. The force field features a virtual site that offloads negative charge to inside the plane of the ring with careful attention given to hydrogen bonding interactions. In this study, the Diels-Alder reaction between cyclopentadiene and methyl acrylate was computationally investigated in the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate, [BMIM][PF

Indexed as

AcrylatesCycloaddition ReactionCyclopentanesImidazolesIonic LiquidsModels, MolecularQuantum TheoryThermodynamics1-butyl-3-methylimidazolium hexafluorophosphateAcrylatesCyclopentanesImidazolesIonic Liquidsmethyl acrylateDiels-AlderFEPForce Fieldionic liquidsMonte CarloOPLSQM/MM

Identifiers

PMID32054023
PMCPMC7072795

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.