Paolo Raiteri - Search Results

Year	Number of Results
2004	1
2005	3
2006	1
2008	3
2009	1
2010	2
2011	8
2012	1
2013	6
2014	2
2015	1
2016	6
2017	2
2018	2
2019	4
2020	2
2021	5
2022	1

1

Structure and Surface Complexation at the Calcite(104)-Water Interface.

Heberling F, Klačić T, Raiteri P, Gale JD, Eng PJ, Stubbs JE, Gil-Díaz T, Begović T, Lützenkirchen J. Heberling F, et al. Among authors: raiteri p. Environ Sci Technol. 2021 Sep 21;55(18):12403-12413. doi: 10.1021/acs.est.1c03578. Epub 2021 Sep 3. Environ Sci Technol. 2021. PMID: 34478280

2

Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH.

Huang YC, Rao A, Huang SJ, Chang CY, Drechsler M, Knaus J, Chan JCC, Raiteri P, Gale JD, Gebauer D. Huang YC, et al. Among authors: raiteri p. Angew Chem Int Ed Engl. 2021 Jul 19;60(30):16707-16713. doi: 10.1002/anie.202104002. Epub 2021 Jun 18. Angew Chem Int Ed Engl. 2021. PMID: 33973691 Free PMC article.

3

A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination.

Gale JD, LeBlanc LM, Spackman PR, Silvestri A, Raiteri P. Gale JD, et al. Among authors: raiteri p. J Chem Theory Comput. 2021 Dec 14;17(12):7827-7849. doi: 10.1021/acs.jctc.1c00832. Epub 2021 Nov 4. J Chem Theory Comput. 2021. PMID: 34735764

4

Simulating the binding of key organic functional groups to aqueous calcium carbonate species.

Schuitemaker A, Aufort J, Koziara KB, Demichelis R, Raiteri P, Gale JD. Schuitemaker A, et al. Among authors: raiteri p. Phys Chem Chem Phys. 2021 Dec 15;23(48):27253-27265. doi: 10.1039/d1cp04226b. Phys Chem Chem Phys. 2021. PMID: 34870292

5

A Supramolecular Ice Growth Inhibitor.

Drori R, Li C, Hu C, Raiteri P, Rohl AL, Ward MD, Kahr B. Drori R, et al. Among authors: raiteri p. J Am Chem Soc. 2016 Oct 12;138(40):13396-13401. doi: 10.1021/jacs.6b08267. Epub 2016 Sep 30. J Am Chem Soc. 2016. PMID: 27618560

6

Promoting transparency and reproducibility in enhanced molecular simulations.

PLUMED consortium. PLUMED consortium. Nat Methods. 2019 Aug;16(8):670-673. doi: 10.1038/s41592-019-0506-8. Nat Methods. 2019. PMID: 31363226 Free article. No abstract available.

7

The atomic structure and dynamics at the CaCO₃ vaterite-water interface: A classical molecular dynamics study.

Schuitemaker A, Raiteri P, Demichelis R. Schuitemaker A, et al. Among authors: raiteri p. J Chem Phys. 2021 Apr 28;154(16):164504. doi: 10.1063/5.0049483. J Chem Phys. 2021. PMID: 33940811

8

Simulation of Calcium Phosphate Prenucleation Clusters in Aqueous Solution: Association beyond Ion Pairing.

Garcia NA, Malini RI, Freeman CL, Demichelis R, Raiteri P, Sommerdijk NAJM, Harding JH, Gale JD. Garcia NA, et al. Among authors: raiteri p. Cryst Growth Des. 2019 Nov 6;19(11):6422-6430. doi: 10.1021/acs.cgd.9b00889. Epub 2019 Sep 10. Cryst Growth Des. 2019. PMID: 32063806 Free PMC article.

9

Entropy Drives Calcium Carbonate Ion Association.

Kellermeier M, Raiteri P, Berg JK, Kempter A, Gale JD, Gebauer D. Kellermeier M, et al. Among authors: raiteri p. Chemphyschem. 2016 Nov 4;17(21):3535-3541. doi: 10.1002/cphc.201600653. Epub 2016 Sep 14. Chemphyschem. 2016. PMID: 27540706

10

Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics.

Raiteri P, Schuitemaker A, Gale JD. Raiteri P, et al. J Phys Chem B. 2020 Apr 30;124(17):3568-3582. doi: 10.1021/acs.jpcb.0c01582. Epub 2020 Apr 15. J Phys Chem B. 2020. PMID: 32259444

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