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List of works by Ivan Welsh

A Density Functional Theory Investigation of Intramolecular Dispersion Forces in Buckyball-Buckybowl Complexes

2013 master's thesis by Ivan Welsh at Victoria University of Wellington

Accurate density functional theory description of binding constants and NMR chemical shifts of weakly interacting complexes of C60 with corannulene-based molecular bowls.

scientific article

Characterisation of N-(Octadecyl)-1,8-naphthalimide Monolayer Compression Using Molecular Dynamics and Experimental Approaches

scientific article published on 21 January 2019

On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers

2017 doctoral thesis by Ivan Welsh at Massey University

Structural investigations of molecular solutes within nanostructured ionic liquids

scientific article published on 13 May 2020

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