The Connectivity Matrix: A Toolbox for Monitoring Bonded Atoms and Bonds

Autor:	Jarosław Zaklika, Mateusz Jędrzejewski, Ludwik Komorowski, Piotr Ordon
Rok vydání:	2020
Předmět:	Electron density Matrix (mathematics) Fragility 010304 chemical physics Chemistry Chemical physics 0103 physical sciences Physical and Theoretical Chemistry 010402 general chemistry 01 natural sciences Chemical reaction Spectral line 0104 chemical sciences
Zdroj:	The journal of physical chemistry. A. 124(6)
ISSN:	1520-5215
Popis:	The concept of a connectivity matrix, essential for the reaction fragility (RF) spectra technique for monitoring electron density evolution in a chemical reaction, has been supported with a novel formulation for the diagonal matrix elements; their direct link to the electron density function ρ(
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b57b8e5ef11b5f9718d98a7d08fae0d9 https://pubmed.ncbi.nlm.nih.gov/31962040 Zobrazit plný text záznamu