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Claim

MOPAC

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 26 Sep 2023Publisher:Zenodo
Authors: Moussa, Jonathan E.; Stewart, James J. P.;
Code repository: https://github.com/openmopac/mopac/tree/v23.1.1

doi: 10.5281/zenodo.14852427 , 10.5281/zenodo.6511958 , 10.5281/zenodo.17470335 , 10.5281/zenodo.14270085 , 10.5281/zenodo.14829485 , 10.5281/zenodo.14885238 , 10.5281/zenodo.19425232 , 10.5281/zenodo.14079325 , 10.5281/zenodo.10578855 , 10.5281/zenodo.14063615 , 10.5281/zenodo.8378316 , 10.5281/zenodo.18663933 , 10.5281/zenodo.17444405 , 10.5281/zenodo.17114127

Abstract

This patch fixes 2 bugs in the MOPAC API - the version number returned by the API call was erratic, and the bond-order matrix had an indexing problem unless it was calculated using the Fortran wrapper.

If you use this software for a scientific publication, please cite it as below.

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visibility
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
7
Top 10%
Average
Top 10%
9