ArticleJournal of molecular modeling2021
The influence of the environment in chemical reactivity: the HCOOH formation from the H
Article in Journal of molecular modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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.
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.
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Who cites it
1 citing paper in PubMed.
- Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
The reaction between carbon monoxide and water was studied occurring in an aerosol medium rich in methanol. This environment is plausible for the primitive and prebiotic Earth atmosphere. The chemical environment is expressed in terms of dielectric constant (ε) and the chemical system was modeled employing the polarizable continuum model (PCM). The main results were acquired from calculations employing the M06-2X density functional for the electronic structure calculations and the canonical variational theory with small curvature tunneling for the chemical kinetic calculations. The rise of ε affects both the thermochemistry and the kinetics of the reaction, increasing the barrier height and decreasing the rate constant for the reaction occurring at room temperature. For example, the rate constant at 300 K is 5-10× 10
Indexed as
Identifiers
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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.