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Valentina Erastova
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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
1432020
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
1422015
Mineral Surface Chemistry Control for Origin of Prebiotic Peptides
V Erastova, MT Degiacomi, DG Fraser, HC Greenwell
Nature Communications, 2017
1232017
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
952016
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
902018
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
642016
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
412021
Easy creation of polymeric systems for molecular dynamics with Assemble!
MT Degiacomi, V Erastova, MR Wilson
Computer Physics Communications 202, 304-309, 2016
322016
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
272016
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
252017
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
192018
Developing a molecular-level understanding of biochar materials using public characterization data
R Wood, O Mašek, V Erastova
Cell Reports Physical Science, 2024
9*2024
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
82022
Analysis of pore types in lower cretaceous qingshankou shale influenced by electric heating
Z Dong, S Tian, H Xue, S Lu, B Liu, V Erastova, M Wu, R Wu
Energy & Fuels 38 (21), 20577-20590, 2024
72024
Revealing crucial effects of reservoir environment and hydrocarbon fractions on fluid behaviour in kaolinite pores
R Zhao, H Xue, S Lu, HC Greenwell, V Erastova
Chemical Engineering Journal 489, 151362, 2024
72024
Development of biochar molecular models with controlled porosity
A Ngambia, O Mašek, V Erastova
Biomass and Bioenergy 184, 107199, 2024
52024
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
52011
Developing realistic molecular models of biochars
R Wood, O Mašek, V Erastova
Cell Reports Physical Science, 2024
4*2024
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
42023
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
42023
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