Coordination of Mercury(II) in Water Promoted over Hydrolysis in Solvated Clusters [Hg(H2O)1–6](aq)2+: Insights from Relativistic Effects and Free Energy Analysis

Author:

Florez Edison1ORCID,Zapata-Escobar Andy D.23ORCID,Ferraro Franklin4ORCID,Ibargüen Becerra César56,Chamorro Yuly7,Maldonado Alejandro F.2ORCID

Affiliation:

1. Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University, 0632 Auckland, New Zealand

2. Institute for Modeling and Innovative Technology (IMIT), CONICET-UNNE, W3404AAS Corrientes, Argentina

3. Physics Department, Natural and Exact Science Faculty, Northeastern University, W3404AAS Corrientes, Argentina

4. Departamento de Ciencias Básicas, Universidad Católica Luis Amigó, 050034 Medellín, Colombia

5. Institute of Chemistry, University of Antioquia, 050010 Medellín, Colombia

6. Facultad de Arquitectura e Ingeniería, Institución Universitaria Colegio Mayor de Antioquia (IUCMA), 050034 Medellín, Colombia

7. Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, 9747 AG Groningen, The Netherlands

Funder

Ministerio de Ciencia, Tecnolog??a e Innovaci??n Productiva

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

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