Molecular dynamic simulations of montmorillonite–organic interactions under varying salinity: an insight into enhanced oil recovery T Underwood, V Erastova, P Cubillas, HC Greenwell The Journal of Physical Chemistry C 119 (13), 7282-7294, 2015 | 131 | 2015 |
Mineral Surface Chemistry Control for Origin of Prebiotic Peptides V Erastova, MT Degiacomi, DG Fraser, HC Greenwell Nature Communications, 2017 | 110 | 2017 |
The future of origin of life research: bridging decades-old divisions M Preiner, S Asche, S Becker, HC Betts, A Boniface, E Camprubi, ... Life 10 (3), 20, 2020 | 107 | 2020 |
Wetting effects and molecular adsorption at hydrated kaolinite clay mineral surfaces T Underwood, V Erastova, HC Greenwell The Journal of Physical Chemistry C 120 (21), 11433-11449, 2016 | 83 | 2016 |
Understanding model crude oil component interactions on kaolinite silicate and aluminol surfaces: Toward improved understanding of shale oil recovery S Tian, V Erastova, S Lu, HC Greenwell, TR Underwood, H Xue, F Zeng, ... Energy & fuels 32 (2), 1155-1165, 2018 | 75 | 2018 |
Ion adsorption at clay-mineral surfaces: the Hofmeister series for hydrated smectite minerals T Underwood, V Erastova, HC Greenwell Clays and Clay Minerals 64 (4), 472-487, 2016 | 59 | 2016 |
A Method for Automatic Shale Porosity Quantification Using an Edge-Threshold Automatic Processing (ETAP) Technique JL , Shansi Tian, Leon Bowen, Bo Liu, Fang Zeng, Haitao Xue, Valentina ... Fuel 304 (121319), 2021 | 34 | 2021 |
Easy creation of polymeric systems for molecular dynamics with Assemble! MT Degiacomi, V Erastova, MR Wilson Computer Physics Communications 202, 304-309, 2016 | 31 | 2016 |
Insights into the behaviour of biomolecules on the early Earth: The concentration of aspartate by layered double hydroxide minerals B Gregoire, V Erastova, DL Geatches, SJ Clark, HC Greenwell, DG Fraser Geochimica et Cosmochimica Acta 176, 239-258, 2016 | 25 | 2016 |
Understanding surface interactions in aqueous miscible organic solvent treated layered double hydroxides V Erastova, MT Degiacomi, D O'Hare, HC Greenwell RSC advances 7 (9), 5076-5083, 2017 | 24 | 2017 |
Aqueous immiscible layered double hydroxides: synthesis, characterisation and molecular dynamics simulation K Ruengkajorn, V Erastova, JC Buffet, HC Greenwell, D O'Hare Chemical communications 54 (35), 4394-4397, 2018 | 18 | 2018 |
Identification of Graphene Dispersion Agents through Molecular Fingerprints SJ Goldie, MT Degiacomi, S Jiang, SJ Clark, V Erastova, KS Coleman ACS nano 16 (10), 16109-16117, 2022 | 5 | 2022 |
A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase V Erastova, J Rodríguez-Otero, EM Cabaleiro-Lago, Á Peña-Gallego Journal of molecular modeling 17, 21-26, 2011 | 5 | 2011 |
Molecular Simulation Studies of Diesel and Diesel Additives V Erastova Durham University, 2013 | 4 | 2013 |
Course materials for an introduction to data-driven chemistry J Cumby, MT Degiacomi, V Erastova, JJ Güven, CL Hobday, AS js Mey, ... Journal of Open Source Education 6 (63), 192, 2023 | 3 | 2023 |
Characteristics of gaseous/liquid hydrocarbon adsorption based on numerical simulation and experimental testing S Tian, Z Dong, B Liu, H Xue, V Erastova, M Wang, H Yan Molecules 27 (14), 4590, 2022 | 3 | 2022 |
DynDen: Assessing convergence of molecular dynamics simulations of interfaces MT Degiacomi, S Tian, HC Greenwell, V Erastova Computer Physics Communications 269, 108126, 2021 | 3 | 2021 |
Biochars at the molecular level. Part 2--Development of realistic molecular models of biochars R Wood, O Masek, V Erastova arXiv preprint arXiv:2303.09907, 2023 | 2 | 2023 |
Organic–Mineral Interactions under Natural Conditions: A Computational Study of Flavone Adsorption on Smectite Clay O Nuruzade, E Abdullayev, V Erastova The Journal of Physical Chemistry C 127 (27), 13167-13177, 2023 | 1 | 2023 |
Biochars at the molecular level. Part 1--Insights into the molecular structures within biochars R Wood, O Masek, V Erastova arXiv preprint arXiv:2303.09661, 2023 | 1 | 2023 |