Publications

Jornal Articles:

2017

  • V Erastova*, MT Degiacomi, DG Fraser & HC Greenwell*. “Mineral Surface Chemistry Control for Origin of Prebiotic Peptides”, Nature Communications (*corresponding authors)
  • S Tian, V Erastova, S Lu, HC Greenwell, T Underwood, H Xue, F Zeng, G Chen, C Wu.Understanding model crude oil component interactions at kaolinite silicate and aluminol surfaces: towards improved shale oil recovery”, Energy and Fuels
  • V Erastova*, MT Degiacomi, D O’Hare & HC Greenwell*. “Understanding Surface Interactions in Aqueous Miscible Organic Solvent Treated Layered Double Hydroxides” RSC Advances, 7.9 (2017): 5076-5083 (*corresponding authors)

 

2016

  • T Underwood, V Erastova & HC Greenwell. “Clay adsorption at smectite clay mineral surface” Clays and Clay Minerals, 64.4 (2016): 472-487
  • V Erastova*, MT Degiacomi*, & MR Wilson. “Easy creation of polymeric systems for molecular dynamics with Assemble!” Computer Physics Communications, 202 (2016): 304-309 (*corresponding authors)
  • V Erastova* B Grégoire*, DL Geatches, SJ Clark, HC Greenwell & DG Fraser. “Insights into the Behaviour of Biomolecules on the Early Earth: The Concentration of Aspartate by Layered Double Hydroxide Minerals” Geochimica et Cosmochimica Acta, 176 (2016): 239-258 (*co-first authors)
  • T Underwood, V Erastova & HC Greenwell. “Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces” The Journal of Physical Chemistry C, 120.21 (2016): 11433-11449

 

2015

  • T Underwood, V Erastova, P Cubillas and HC Greenwell. “Molecular Dynamic Simulations of Montmorillonite-Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery” The Journal of Physical Chemistry C, 119.13 (2015): 7282-7294

 

Earlier:

  • V Erastova, J Rodríguez-Otero, EM Cabaleiro-Lago & A Peña-Gallego (2011). “A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase”. Journal of Molecular Modeling, 17.1 (2011): 21-26

 

 

Thesis:

V Erastova,Molecular simulation studies of diesel and diesel additives, 2012
(under embargo until 2018)

Master’s Dissertation:

V Erastova, “An ab initio and DFT study of the mechanism of unimolecular elimination of α,β-unsaturated aldehydes”, 2008