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Valentina Erastova

University of Edinburgh

16H-index
56Paper Count
1.1KCitation Count
Published Papers 26
Publication Date
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Mechanisms of Mn(II) removal from mining-impacted waters by biochar: Decoupling precipitation and surface complexation via experiments and atomistic simulations
errJournal of Environmental Chemical Engineering
IF7.2
err2026-10-02
err0
errOAAI
errAudrey Ngambia; Anastasiia Gavrilova; Haitao Huang; Zhuodong Lyu; Ondřej Mašek; Margaret Graham; Valentina Erastova
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What it takes to solve the origin of life: An integrated review. Part 1–Experimental methods and data repositories
errCell Reports Physical Science
IF7.3
err2026-04-08
err0
errOAAI
errSilke Asche; Carla Bautista; Celia Blanco; David Boulesteix; Alexandre Champagne-Ruel; Cole Mathis; Omer Markovitch; Zhen Peng; Avinash Vicholous Dass; Alyssa Adams; Eloi Camprubi; Enrico Sandro Colizzi; Stephanie Colón-Santos; Hannah Dromiack; Valentina Erastova; Amanda Garcia; Ghjuvan Grimaud; Aaron Halpern; Stuart A. Harrison; Seán F. Jordan
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Unravelling 2,4-D – biochar interactions by molecular dynamics: adsorption modes and surface functionalities
errBiomass and Bioenergy
IF5.8
err2026-02-13
err0
errOAAI
errRosie Wood; Ondřej Mašek; Valentina Erastova
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Molecular Insights into Caprock Integrity of Subsurface Hydrogen Storage: Perspective on Hydrogen-Induced Swelling and Mechanical Response
errACS Sustainable Chemistry and Engineering
IF7.3
err2026-01-09
err0
errOAAI
errMehdi Ghasemi; Mohamad Ali Ghafari; Masoud Babaei; Valentina Erastova
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Reduction of NAD and NMN on mineral surfaces with H2 reveals a functional role for the AMP moiety in a prebiotic context
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2025-10-30
err0
errOAAI
errHenriques Pereira, Delfina P.; Xie, Xiulan; Stewart, Sarah V.; Subrati, Zainab; Beyazay, Tugce; Paczia, Nicole; Belz, Jurgen; Volz, Kerstin; Erastova, Valentina; Tuysuz, Harun; Preiner, Martina
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Quantitative Study on the Adsorption State of n-Octane in Kaolinite Slit-like Pores Based on Four Angular Parameters
errMOLECULES
IF4.6
err2025-09-15
err0
errOAAI
errZeng, Fang; Tian, Shansi; Dong, Zhentao; Dong, Hongli; Liu, Bo; Erastova, Valentina; Liu, Haiyang
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A novel method for automatic quantification of different pore types in shale based on SEM-EDS calibration
errMARINE AND PETROLEUM GEOLOGY
IF3.6
err2025-03-01
err7
PREAI
errDong, Zhentao; Tian, Shansi; Xue, Haitao; Lu, Shuangfang; Liu, Bo; Erastova, Valentina; Chen, Guohui; Zhang, Yuying
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Modeling Realistic Clay Systems with ClayCode
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-15
err0
errOAAI
errPollak, Hannah; Degiacomi, Matteo T.; Erastova, Valentina
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Molecular dynamics of quantitative evaluation of confined fluid behavior in nanopores media and the influencing mechanism: Pore size and pore geometry
errPHYSICS OF FLUIDS
IF4.3
err2024-09-25
err1
PREAI
errZhao, Rixin; Xue, Haitao; Lu, Shuangfang; Greenwell, H. Chris; Xu, Yaohui; He, Taohua; Erastova, Valentina
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Understanding the Role of Layered Minerals in the Emergence and Preservation of Proto-Proteins and Detection of Traces of Early Life
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2024-08-14
err0
errOAAI
errStewart, Sarah V.; Erastova, Valentina
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Developing realistic molecular models of biochars
errCELL REPORTS PHYSICAL SCIENCE
IF7.3
err2024-07-01
err0
errOAAI
errWood, Rosie; Masek, Ondr; Erastova, Valentina
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Developing a molecular-level understanding of biochar materials using public characterization data
errCELL REPORTS PHYSICAL SCIENCE
IF7.3
err2024-07-01
err0
errOAAI
errWood, Rosie; Masek, Ondrej; Erastova, Valentina
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Unravelling Guest Dynamics in Crystalline Molecular Organics Using 2H Solid-State NMR and Molecular Dynamics Simulation
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-06-27
err2
errOAAI
errErastova, Valentina; Evans, Ivana R.; Glossop, William N.; Guryel, Songul; Hodgkinson, Paul; Kerr, Hannah E.; Oganesyan, Vasily S.; Softley, Lorna K.; Wickins, Helen M.; Wilson, Mark R.
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Revealing crucial effects of reservoir environment and hydrocarbon fractions on fluid behaviour in kaolinite pores
errCHEMICAL ENGINEERING JOURNAL
IF13.2
err2024-06-01
err4
errOAAI
errZhao, Rixin; Xue, Haitao; Lu, Shuangfang; Greenwell; Erastova, Valentina
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Development of biochar molecular models with controlled porosity
errBIOMASS & BIOENERGY
IF5.8
err2024-05-01
err6
errOAAI
errNgambia, Audrey; Masek, Ondrej; Erastova, Valentina
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Organic-Mineral Interactions under Natural Conditions: A Computational Study of Flavone Adsorption on Smectite Clay
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-06-28
err4
errOAAI
errNuruzade, Omar; Abdullayev, Elshan; Erastova, Valentina
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Identification of Graphene Dispersion Agents through Molecular Fingerprints
errACS NANO
IF16
err2022-09-27
err8
errOAAI
errGoldie, Stuart J.; Degiacomi, Matteo T.; Jiang, Shan; Clark, Stewart J.; Erastova, Valentina; Coleman, Karl S.
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Characteristics of Gaseous/Liquid Hydrocarbon Adsorption Based on Numerical Simulation and Experimental Testing
errMOLECULES
IF4.6
err2022-07-19
err4
errOAAI
errTian, Shansi; Dong, Zhentao; Liu, Bo; Xue, Haitao; Erastova, Valentina; Wang, Min; Yan, Haiyang
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DynDen: Assessing convergence of molecular dynamics simulations of interfaces
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2021-12-01
err4
errOAAI
errDegiacomi, Matteo T.; Tian, Shansi; Greenwell, H. Chris; Erastova, Valentina
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A method for automatic shale porosity quantification using an Edge-Threshold Automatic Processing (ETAP) technique
errFUEL
IF7.5
err2021-11-01
err33
errOAAI
errTian, Shansi; Bowen, Leon; Liu, Bo; Zeng, Fang; Xue, Haitao; Erastova, Valentina; Greenwell, H. Chris; Dong, Zhentao; Zhao, Rixin; Liu, Jinzhong
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Research Directions

The data has not been retrieved yet.
Co-authors
Cooperation Journals
D
Dermot O’Hare
H-index: 83 · Papers: 1.1K
O
Ondřej Mašek
H-index: 61 · Papers: 257
H
Hongli Dong
H-index: 58 · Papers: 395
H
Harun Tüysüz
H-index: 55 · Papers: 196
S
Stewart J. Clark
H-index: 54 · Papers: 432
View more