DFT analysis of the interaction between Hg2+ and monodentate neutral ligands using NBO, EDA, and QTAIM-Reference-Cited by-同舟云学术

DFT analysis of the interaction between Hg2+ and monodentate neutral ligands using NBO, EDA, and QTAIM

Published:2020-05-20 Issue:6 Volume:26 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

da Silva Victor Hugo Malamace,de Mesquita Carneiro José Walkimar,da Costa Leonardo Moreira,Ferreira Glaucio Braga^ORCID

Funder

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-020-04413-5.pdf

Reference61 articles.

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3. Carpi A (1997) Mercury from combustion sources: a review of the chemical species emitted and their transport in the atmosphere. Water Air Soil Pollut 98:241–254

4. WHO (1990) Methylmercury environmental health criteria, vol 101. World Health Organization, Geneva

5. WHO (1991) Inorganic mercury environmental health criteria, vol 118. World Health Organization, Geneva

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