Publications by authors named "David S D Gunn"

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Multiscale QM/MM modelling of catalytic systems with ChemShell.
You Lu, Kakali Sen, Chin Yong, David S D Gunn, John A Purton

Phys Chem Chem Phys· August 2023

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Phase Behavior of Alkyl Ethoxylate Surfactants in a Dissipative Particle Dynamics Model.
Richard L Anderson, David S D Gunn, Tseden Taddese, Ennio Lavagnini, Patrick B Warren

J Phys Chem B· February 2023

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Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn-Sham Orbitals for Predicting the Properties of Semiconductors.
Jonathan M Skelton, David S D Gunn, Sebastian Metz, Stephen C Parker

J Chem Theory Comput· June 2020

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Thermodynamics, Electronic Structure, and Vibrational Properties of Sn (S Se ) Solid Solutions for Energy Applications.
David S D Gunn, Jonathan M Skelton, Lee A Burton, Sebastian Metz, Stephen C Parker

Chem Mater· May 2019

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Order parameter and connectivity topology analysis of crystalline ceramics for nuclear waste immobilization.
Adam Archer, Henry R Foxhall, Neil L Allan, David S D Gunn, John H Harding

J Phys Condens Matter· December 2014

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Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}.
Kristine Liao, Vittorio Fiorin, David S D Gunn, Stephen J Jenkins, David A King

Phys Chem Chem Phys· March 2013

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