Evidence map›Paper›PMID 32180045›Full record

ArticleJournal of molecular modeling2020

Computational insight into polynitromethyl- and polydifluoroaminomethyl-substituted energetic derivatives of 2,3-dihydro pyrazino [2,3-e] [1, 2, 3, 4] tetrazine.

Raza Ullah Khan, Weihua Zhu

Abstract read
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Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0cells of the map it votes in
0citing papers in PubMed
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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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

2 authors.

Raza Ullah KhanDepartment of Chemistry, Institute for Computation in Molecular and Materials Science, Nanjing University of Science and Technology, 200 Xiaolingwei Street, Nanjing, 210094, China.ORCID https://orcid.org/0000-0001-9480-7187
Weihua ZhuDepartment of Chemistry, Institute for Computation in Molecular and Materials Science, Nanjing University of Science and Technology, 200 Xiaolingwei Street, Nanjing, 210094, China. zhuwh@njust.edu.cn.ORCID http://orcid.org/0000-0002-0295-8744

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A series of energetic polynitromethyl and polynitromethyl substituents were designed and then incorporated into 2,3-dihydro pyrazino [2,3-e] [1, 2, 3, 4] tetrazine molecule. The heat of formations, frontier molecular orbitals, electronic densities, electrostatic potentials, thermal stability, and impact sensitivity of the designed compounds were predicted by density functional theory. Most of the title compounds possess excellent comprehensive performance, that is, large densities (1.90 to 2.35 g cm

Indexed as

2,3-Dihydro pyrazino [2,3-e] [1, 2, 3, 4] tetrazine derivativesDensity functional theoryEnergetic propertiesImpact sensitivityThermal stability

Identifiers

PMID32180045

What OpenQuestion holds

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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.