New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectives-Reference-Cited by-全球学者库

New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectives

Published:2024 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Schuitemaker Alicia¹²³^ORCID,Koziara Katarzyna B.³,Raiteri Paolo³^ORCID,Gale Julian D.³^ORCID,Demichelis Raffaella³^ORCID

Affiliation:

1. Australian Research Council Centre of Excellence in Exciton Science, School of Chemistry, University of Sydney, Sydney, New South Wales, Australia

2. The University of Sydney Nano Institute, University of Sydney, Sydney, New South Wales, Australia

3. School of Molecular and Life Sciences, Curtin University, GPO Box U1987, 6845 Perth, Western Australia, Australia

Abstract

A new classical model for aspartate anions relevant to biomineralization was developed. Their dynamics was explored in water, providing solvation structure and free energies, conformational free energy profiles and pairing free energies.

Funder

Curtin University of Technology

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04674E

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