(Q44555098)

English

Building a polarizable pair interaction potential for lanthanoids(III) in liquid water: a molecular dynamics study of structure and dynamics of the whole series.

scientific article published in March 2009

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

Building a polarizable pair interaction potential for lanthanoids(III) in liquid water: a molecular dynamics study of structure and dynamics of the whole series (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

Riccardo Spezia

3

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

author name string

Pierre Vitorge

2

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

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1 March 2009

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Europe PubMed Central

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23 January 2020

Journal of Chemical Physics

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

130

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

10

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Europe PubMed Central

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23 January 2020

104501

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19292535%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

Development and validation of an integrated computational approach for the study of ionic species in solution by means of effective two-body potentials. The case of Zn2+, Ni2+, and Co2+ in aqueous solutions.

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Experimental and molecular dynamics studies of dysprosium(III) salt solutions for a better representation of the microscopic features used within the binding mean spherical approximation theory

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Solvation of Co(III)-cysteinato complexes in water: a DFT-based molecular dynamics study.

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

The coordination of uranyl in water: a combined quantum chemical and molecular simulation study

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Effect of hydration on coordination properties of uranyl(VI) complexes. A first-principles molecular dynamics study.

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Structural and dynamical properties of the Hg2+ aqua ion: a molecular dynamics study

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Inorganic and bioinorganic solvent exchange mechanisms

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Hydration of lanthanoid(III) ions in aqueous solution and crystalline hydrates studied by EXAFS spectroscopy and crystallography: the myth of the "gadolinium break".

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Theoretical study of the hydrated Gd3+ ion: structure, dynamics, and charge transfer.

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Hydration structure of Y3+ and La3+ compared: an application of metadynamics.

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Gadolinium (III) ion in liquid water: structure, dynamics, and magnetic interactions from first principles

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Coordination chemistry of trivalent lanthanide and actinide ions in dilute and concentrated chloride solutions

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

f-element/crown ether complexes. 6. Interaction of hydrated lanthanide chlorides with 15-crown-5: Crystallization and structures of [M(OH2)8]Cl3·(15-crown-5) (M = Gd, Lu)

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

Eight-coordination

1 reference

https://api.crossref.org/works/10.1063%2F1.3081143

21 January 2018

How to access structure and dynamics of solutions: The capabilities of computational methods (Special Topic Article)

1 reference

20 August 2023

https://opencitations.net/index/coci/api/v1/citations/10.1351/PAC200678030525

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