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

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

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

Version 2 2024-06-13, 14:49

Version 1 2023-02-23, 05:39

journal contribution

posted on 2024-06-13, 14:49 authored by Raffaella Demichelis, Natalya A Garcia, Paolo Raiteri, Riccardo Innocenti Malini, Colin L Freeman, John H Harding, Julian D Gale

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

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Journal

JOURNAL OF PHYSICAL CHEMISTRY B

Volume

122

Pagination

1471-1483

Location

United States

Publisher DOI

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

ISSN

1520-6106

eISSN

1520-5207

Language

English

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

Publication classification

C1 Refereed article in a scholarly journal

Issue

4

Publisher

AMER CHEMICAL SOC

Publication URL

http://dx.doi.org/10.1021/acs.jpcb.7b10697

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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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