Publications

Author:
Year:

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"Development and Optimization of an Immobilized Photocatalytic System within a Stacked Frame Photoreactor (SFPR) Using Light Distribution and Fluid Mixing Simulation Coupled with Experimental Validation"
Con Boyle and Nathan Skillen and Lorenzo Stella and Peter K. J. Robertson, January 2019
doi:10.1021/acs.iecr.8b05709

"Solvation Effects on Dissociative Electron Attachment to Thymine"
Maeve McAllister and Nazila Kazemigazestane and Liam T. Henry and Bin Gu and Ilya Fabrikant and Gareth A. Tribello and Jorge Kohanoff, January 2019
doi:10.1021/acs.jpcb.8b11621

"Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals"
Michael Ferguson and M. Silvina Moyano and Gareth A. Tribello and Deborah E. Crawford and Eduardo M. Bringa and Stuart L. James and Jorge Kohanoff and Mario G. Del Pópolo, January 2019
doi:10.1039/c8sc04971h

"Multiple-probe electronic open boundaries with bad contacts"
Tchavdar N. Todorov and Andrew P. Horsfield, January 2019
doi:10.1103/physrevb.99.045415

"First principles simulation of damage to solvated nucleotides due to shock waves"
Alberto Fraile and Maeve Smyth and Jorge Kohanoff and Andrey V. Solov’yov, January 2019
doi:10.1063/1.5028451

"Spectroscopic Size and Thickness Metrics for Liquid-Exfoliated h-BN"
Aideen Griffin and Andrew Harvey and Brian Cunningham and Declan Scullion and Tian Tian and Chih-Jen Shih and Myrta Gruening and John F Donegan and Elton J. G. Santos and Claudia Backes and Jonathan N. Coleman, March 2018
doi:10.1021/acs.chemmater.7b05188

"On the role of magnesium in LiF:Mg,Ti thermoluminescent dosimeter"
Guerda Massillon Jacques-Louis and Conrad S.N Johnston and Jorge Jose Kohanoff, November 2018
doi:10.1088/1361-648x/aaee62

"Modelling a Bistable System Strongly Coupled to a Debye Bath: A Quasiclassical Approach Based on the Generalised Langevin Equation"
Lorenzo Stella and Herve Ness and Christian Lorenz and Lev Kantorovich, March 2018
doi:10.12921/cmst.2017.0000006

"Efficient electron open boundaries for simulating electrochemical cells"
Mario G. Zauchner and Andrew P. Horsfield and Tchavdar N. Todorov, January 2018
doi:10.1103/physrevb.97.045116

"Strain Engineering and Raman Spectroscopy of Monolayer Transition Metal Dichalcogenides"
A. M. Dadgar and D. Scullion and K. Kang and D. Esposito and E. H. Yang and I. P. Herman and M. A. Pimenta and E.-J. G. Santos and A. N. Pasupathy, July 2018
doi:10.1021/acs.chemmater.8b01672

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