Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands

Global reaction route mapping (GRRM) analysis for compounds with the formula C(4)H(5)NO allowed for the detection of the corresponding “Guinness molecules” 000 and 001, as well as around 150 other stable minima of the same composition. The results suggest that compounds of similar functionality form...

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Detalles Bibliográficos
Autores principales: Mikhaylov, Oleg A., Gridnev, Ilya D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9860754/
https://www.ncbi.nlm.nih.gov/pubmed/36677787
http://dx.doi.org/10.3390/molecules28020728
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author Mikhaylov, Oleg A.
Gridnev, Ilya D.
author_facet Mikhaylov, Oleg A.
Gridnev, Ilya D.
author_sort Mikhaylov, Oleg A.
collection PubMed
description Global reaction route mapping (GRRM) analysis for compounds with the formula C(4)H(5)NO allowed for the detection of the corresponding “Guinness molecules” 000 and 001, as well as around 150 other stable minima of the same composition. The results suggest that compounds of similar functionality form a kind of “Stability Island” with their free energies of formation falling within s relatively limited range.
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spelling pubmed-98607542023-01-22 Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands Mikhaylov, Oleg A. Gridnev, Ilya D. Molecules Article Global reaction route mapping (GRRM) analysis for compounds with the formula C(4)H(5)NO allowed for the detection of the corresponding “Guinness molecules” 000 and 001, as well as around 150 other stable minima of the same composition. The results suggest that compounds of similar functionality form a kind of “Stability Island” with their free energies of formation falling within s relatively limited range. MDPI 2023-01-11 /pmc/articles/PMC9860754/ /pubmed/36677787 http://dx.doi.org/10.3390/molecules28020728 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Mikhaylov, Oleg A.
Gridnev, Ilya D.
Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands
title Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands
title_full Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands
title_fullStr Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands
title_full_unstemmed Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands
title_short Global Search for Stable C(4)H(5)NO Compounds—Guinness Molecules and Stability Islands
title_sort global search for stable c(4)h(5)no compounds—guinness molecules and stability islands
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9860754/
https://www.ncbi.nlm.nih.gov/pubmed/36677787
http://dx.doi.org/10.3390/molecules28020728
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