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ZENODO
Software . 2026
License: http://opensource.org/licenses/MIT
Data sources: ZENODO
ZENODO
Software . 2026
License: https://opensource.org/licenses/MIT
Data sources: Datacite
ZENODO
Software . 2026
License: https://opensource.org/licenses/MIT
Data sources: Datacite
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lvpp/sigma: LVPP sigma-profile database v25

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 31 Mar 2026Publisher:Zenodo
Authors: Rafael de Pelegrini Soares; fabianaluft; Anne Caroline Belusso; saymonroodesrodrigues; EdgarSouzaJr; Lucas Pandolphi Zini; enzobrennerp; +12 Authors
Code repository: https://github.com/lvpp/sigma/tree/v25

doi: 10.5281/zenodo.3613785 , 10.5281/zenodo.19355879

lvpp/sigma: LVPP sigma-profile database v25

Abstract

v25 Release This version includes: Over 2,500 .mol files (pre-optimized with UFF) Over 2,500 gas-phase optimized geometries at the DFT/B3LYP level, stored as .xyz files Over 2,500 .cosmo files computed with NWChem at the DFT/B3LYP/def2-SVPD level of theory Notes: GAMESS and MOPAC files are now deprecated and are not included in this release

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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).
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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.
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.
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