Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation

Demichelis, Raffaella; Garcia, Natalya; Raiteri, Paolo; Malini, Riccardo Innocenti; Freeman, Colin L; Harding, John H; Gale, Julian

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Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation

journal contribution

posted on 2023-02-23, 05:39 authored by Raffaella Demichelis, Natalya Garcia, Paolo Raiteri, Riccardo Innocenti Malini, Colin L Freeman, John H Harding, Julian Gale

Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation

History

Journal

JOURNAL OF PHYSICAL CHEMISTRY B

Volume

122

Pagination

1471 - 1483

Publisher DOI

https://doi.org/10.1021/acs.jpcb.7b10697

ISSN

1520-6106

Language

English

Author URL

https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000424731000013&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a045e4b2bb1f2b747c68c720ec8913b7

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Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation

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Keywords

Science & Technology Physical Sciences Chemistry, Physical Chemistry CRYSTAL-STRUCTURE X-RAY MECHANICAL-PROPERTIES ELECTRONIC-STRUCTURE MOLECULAR-DYNAMICS PHASE-EQUILIBRIA ION ASSOCIATION CAHPO4 MONETITE POSNERS CLUSTER MODEL

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Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation

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