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Software . 2023
Data sources: Datacite
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MOPAC 5.022mn

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 16 Jul 2023 English Publisher:Zenodo
Authors: Stewart, James J. P.; Fiedlet, Lucas J.; Zheng, Jingjing; Rossi, Ivan; Hu, Wei-Ping; Lynch, Gillian C.; Liu, Yi-Ping; +8 Authors

doi: 10.5281/zenodo.8153078 , 10.5281/zenodo.8153079

Abstract

MOPAC 5.022mn is an enhanced version of MOPAC 5 for quantum chemistry calculations employing semiempirical molecular orbital theory. The noteworthy features are summarized in the abstract with further details in the manual. The tar file contains source code, sample input, and sample output.

MOPAC - version 5.022mn is licensed under the Apache License, Version 2.0. The manual of MOPAC - version 5.022mn is licensed under CC-BY-4.0.

Related Organizations
Keywords

molecular orbitals, quantum chemistry, semiempirical, NDDO

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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.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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