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Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap

[Image: see text] We introduce a density-dependent bonding descriptor that enables simultaneous visualization of both covalent and noncovalent interactions. The proposed quantity is tailored to reveal the regions of space, where the total electron density results from a strong overlap of shell, atom...

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Autori principali: de Silva, Piotr, Corminboeuf, Clémence
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2014
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4158806/
https://ncbi.nlm.nih.gov/pubmed/25221443
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500490b
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