Density functional theory modelling of protective agents for carbonate stones: a case study of oxalate and oxamate inorganic salts

Author:

Pintus Anna123ORCID,Aragoni M. Carla123ORCID,Carcangiu Gianfranco4523ORCID,Giacopetti Laura123ORCID,Isaia Francesco123ORCID,Lippolis Vito123ORCID,Maiore Laura6783ORCID,Meloni Paola910113ORCID,Arca Massimiliano123ORCID

Affiliation:

1. Dipartimento di Scienze Chimiche e Geologiche

2. 09042 Monserrato (Cagliari)

3. Italy

4. Consiglio Nazionale delle Ricerche (CNR) Istituto di Scienze dell’Atmosfera e del Clima (ISAC) UOS di Cagliari c/o Dipartimento di Fisica

5. Università degli Studi di Cagliari

6. Dipartimento di Chimica e Farmacia

7. Università degli Studi di Sassari

8. 07100 Sassari

9. Dipartimento di Ingegneria Meccanica

10. Chimica e dei Materiali

11. 09123 Cagliari

Abstract

DFT calculations allowed investigating the ability of oxalate monoesters and monoamides salts to act as protective agents for carbonate stones, such as marble or limestones, of historical interest in the field of cultural heritage.

Funder

Regione Autonoma della Sardegna

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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