Molecular dynamics simulations of uranyl-peroxide nanocapsules in aqueous solution

Bess Vlaisavljevich; Pere Miro; Shuxian Hu; Allison Dzubak; Riccardo Spezia; Christopher J. Cramer; Laura Gagliardi

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Abstract

Molecular dynamics simulations of uranyl-peroxide nanocapsules in aqueous solution

Bess Vlaisavljevich, Pere Miro, Shuxian Hu, Allison Dzubak, Riccardo Spezia, Christopher J. Cramer and Laura Gagliardi

Abstract Volume (Geological Association of Canada), Vol.36, p.194

GAC-MAC Winnipeg 2013; GAC-MAC joint annual meeting, At the centre of the continent--Winnipeg 2013; L'AGC-AMC congres annuel conjoint, Au centre du continent

2013

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Abstract

Geochemistry

Ligands

Molecular Dynamics

actinides

aqueous solutions

density functional theory

Hydrochemistry

hydrogen peroxide

metals

nanoclusters

self-assembly

uranyl ion

Details

Title: Subtitle: Molecular dynamics simulations of uranyl-peroxide nanocapsules in aqueous solution
Creators: Bess Vlaisavljevich - University of Minnesota
Pere Miro
Shuxian Hu
Allison Dzubak
Riccardo Spezia
Christopher J. Cramer
Laura Gagliardi
Resource Type: Abstract
Publication Details: Abstract Volume (Geological Association of Canada), Vol.36, p.194
Conference: GAC-MAC Winnipeg 2013; GAC-MAC joint annual meeting, At the centre of the continent--Winnipeg 2013; L'AGC-AMC congres annuel conjoint, Au centre du continent
Publisher: Geological Association of Canada
ISSN: 1716-6098
Alternative title: GAC-MAC Winnipeg 2013; GAC-MAC joint annual meeting, At the centre of the continent--Winnipeg 2013; L'AGC-AMC congres annuel conjoint, Au centre du continent
Language: English
Date published: 2013
Academic Unit: Chemistry
Record Identifier: 9984618620502771

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