Response to 'comment on 'Topological Analysis of the Electron Density in the Carbonyl Complexes M(CO)8(M = Ca, Sr, Ba)''

Autor:	Juan F. Van der Maelen
Přispěvatelé:	Ministerio de Economía y Competitividad (España), Principado de Asturias
Rok vydání:	2020
Předmět:	Inorganic Chemistry Electron density Chemistry Organic Chemistry Physical chemistry Physical and Theoretical Chemistry Current (fluid)
Zdroj:	Scopus RUO. Repositorio Institucional de la Universidad de Oviedo instname Digital.CSIC. Repositorio Institucional del CSIC
Popis:	The Comment by Holzmann et al. does not properly reflect the conclusions of the original article, as shown in the current response. New calculations on the title compounds, as well as on M(CO)2 (M = Ca, Sr, Ba) complexes with both D∞h and C2v symmetry, included in the current response and based not only on the Quantum Theory of Atoms in Molecules but also on the Natural Bond Orbital approach, strengthen the arguments of the original article. This work has been supported by the Spanish MINECO project MAT2016-78155-C2-1-R and the Principality of Asturias grant GRUP-IN-14-060.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da9f1b71c9254525c40430273a252e00 http://hdl.handle.net/10651/58872 Zobrazit plný text záznamu