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1
Accurately determining the phase transition temperature of CsPbI3 via random-phase approximation calculations and phase-transferable machine learning potentials
Accurately determining the phase transition temperature of CsPbI3 via random-phase approximation calculations and phase-transferable machine learning potentials
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Accurately determining the phase transition temperature of CsPbI3 via random-phase approximation calculations and phase-transferable machine learning potentials

Braeckevelt, Tom ; Goeminne, Ruben ; Vandenhaute, Sander ; Borgmans, Sander ; Verstraelen, Toon ; Steele, Julian A ; Roeffaers, Maarten B. J ; Hofkens, Johan ; Rogge, Sven ; Van Speybroeck, Veronique

2022

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2
Solubility measurement and correlation of 2-aminoterephthalic acid in eight alcoholic solvents at different temperatures
Solubility measurement and correlation of 2-aminoterephthalic acid in eight alcoholic solvents at different temperatures
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Solubility measurement and correlation of 2-aminoterephthalic acid in eight alcoholic solvents at different temperatures

Choi, Eunhye ; Heynderickx, Philippe

2023

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3
Techno-economic assessment of mechanical recycling of challenging post-consumer plastic packaging waste
Techno-economic assessment of mechanical recycling of challenging post-consumer plastic packaging waste
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Techno-economic assessment of mechanical recycling of challenging post-consumer plastic packaging waste

Larrain, Macarena ; Van Passel, Steven ; Thomassen, Gwenny ; Van Gorp, Bart ; Nhu, Thuy Trang ; Huysveld, Sophie ; Van Geem, Kevin ; De Meester, Steven ; Billen, Pieter

2021

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4
Modeling salt behavior with ECOS/RUNSALT : terminology, methodology, limitations, and solutions
Modeling salt behavior with ECOS/RUNSALT : terminology, methodology, limitations, and solutions
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Modeling salt behavior with ECOS/RUNSALT : terminology, methodology, limitations, and solutions

Godts, Sebastiaan ; Steiger, Michael ; Orr, Scott Allan ; Stahlbuhk, Amelie ; Desarnaud, Julie ; De Clercq, Hilde ; Cnudde, Veerle ; De Kock, Tim

2022

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5
A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit
A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit
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A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit

De Waele, Sam ; Lejaeghere, Kurt ; Leunis, Elke ; Duprez, Lode ; Cottenier, Stefaan

2019

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6
Sources and behaviour of nitrogen compounds in the shallow groundwater of agricultural areas (Poyang Lake basin, China)
Sources and behaviour of nitrogen compounds in the shallow groundwater of agricultural areas (Poyang Lake basin, China)
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Sources and behaviour of nitrogen compounds in the shallow groundwater of agricultural areas (Poyang Lake basin, China)

Soldatova, Evgeniya ; Guseva, Natalia ; Sun, Zhanxue ; Bychinsky, Valeriy ; Boeckx, Pascal ; Gao, Bai

2017

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7
Atomistic insight into Tetraalkylphosphonium Bis(oxalato)borate Ionic liquid/water mixtures. 2. volumetric and dynamic properties
Atomistic insight into Tetraalkylphosphonium Bis(oxalato)borate Ionic liquid/water mixtures. 2. volumetric and dynamic properties
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Atomistic insight into Tetraalkylphosphonium Bis(oxalato)borate Ionic liquid/water mixtures. 2. volumetric and dynamic properties

Wang, Yong-Lei ; Shimpi, Manishkumar R ; Sarman, Sten ; Antzutkin, Oleg N ; Glavatskih, Sergei ; Kloo, Lars ; Laaksonen, Aatto

American Chemical Society (ACS) 2016

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8
Modeling of COMPASS tokamak divertor liquid metal experiments
Modeling of COMPASS tokamak divertor liquid metal experiments
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Modeling of COMPASS tokamak divertor liquid metal experiments

Horacek, J ; Dejarnac, R ; Cecrdle, J ; Tskhakaya, D ; Vertkov, A ; Cavalier, J ; Vondracek, P ; Jerab, M ; Barton, P ; Van Oost, Guido ; Hron, M ; Weinzettl, V ; Sestak, D ; Lukes, S ; Adamek, J ; Prishvitsin, A ; Iafratti, M ; Gasparyan, Y ; Vasina, Y ; Naydenkova, D ; Seidl, J ; Gauthier, E ; Mazzitelli, G ; Komm, M ; Gerardin, J ; Varju, J ; Tomes, M ; Entler, S ; Hromadka, J ; Panek, R

2020

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9
The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al)
The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al)
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The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al)

Hoffman, Alexander ; Wieme, Jelle ; Rogge, Sven ; Vanduyfhuys, Louis ; Van Speybroeck, Veronique

2019

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10
First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds

Ince, Alper ; Carstensen, Hans-Heinrich ; Reyniers, Marie-Françoise ; Marin, Guy

2015

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