A focus on penetration index - a new descriptor of chemical bonding
Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría (S. Alvarez, J. Echeverría, Chem. Sci. , 2023, https://doi.org/10.1039/D3SC02238B ) suggest a simple descriptor of how deep this...
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| Veröffentlicht in: | Chemical science (Cambridge) 2023-11, Vol.14 (42), p.11597-116 |
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| creator | Grochala, Wojciech |
| description | Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría (S. Alvarez, J. Echeverría,
Chem. Sci.
, 2023,
https://doi.org/10.1039/D3SC02238B
) suggest a simple descriptor of how deep this interpenetration is, calling it a
penetration index
,
i
[Å]. This property may easily be related to a combined thickness of the van der Waals regions of two bond-forming atoms, thus giving rise to a
dimensionless penetration index
,
p
AB
[%]. How far this new index may take us will be discussed in this article.
Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría have suggested a simple descriptor of how deep this interpenetration is, and called it a
penetration index
,
i
. |
| doi_str_mv | 10.1039/d3sc90191b |
| format | Article |
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Chem. Sci.
, 2023,
https://doi.org/10.1039/D3SC02238B
) suggest a simple descriptor of how deep this interpenetration is, calling it a
penetration index
,
i
[Å]. This property may easily be related to a combined thickness of the van der Waals regions of two bond-forming atoms, thus giving rise to a
dimensionless penetration index
,
p
AB
[%]. How far this new index may take us will be discussed in this article.
Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría have suggested a simple descriptor of how deep this interpenetration is, and called it a
penetration index
,
i
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Chem. Sci.
, 2023,
https://doi.org/10.1039/D3SC02238B
) suggest a simple descriptor of how deep this interpenetration is, calling it a
penetration index
,
i
[Å]. This property may easily be related to a combined thickness of the van der Waals regions of two bond-forming atoms, thus giving rise to a
dimensionless penetration index
,
p
AB
[%]. How far this new index may take us will be discussed in this article.
Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría have suggested a simple descriptor of how deep this interpenetration is, and called it a
penetration index
,
i
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Chem. Sci.
, 2023,
https://doi.org/10.1039/D3SC02238B
) suggest a simple descriptor of how deep this interpenetration is, calling it a
penetration index
,
i
[Å]. This property may easily be related to a combined thickness of the van der Waals regions of two bond-forming atoms, thus giving rise to a
dimensionless penetration index
,
p
AB
[%]. How far this new index may take us will be discussed in this article.
Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría have suggested a simple descriptor of how deep this interpenetration is, and called it a
penetration index
,
i
.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>37920354</pmid><doi>10.1039/d3sc90191b</doi><tpages>4</tpages><oa>free_for_read</oa></addata></record> |
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| language | eng |
| recordid | cdi_pubmed_primary_37920354 |
| source | DOAJ Directory of Open Access Journals; PubMed Central Open Access; EZB-FREE-00999 freely available EZB journals; PubMed Central |
| subjects | Bonding strength Chemical bonds Chemistry Electron clouds |
| title | A focus on penetration index - a new descriptor of chemical bonding |
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