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  • Currently displaying 3261 - 3280 of 30657 publications
Author(s)
Publication title
Journal Name
Publication year
Exploring the chemical space of phenyl sulfide oxidation by automated optimization
P Mueller, A Vriza, AD Clayton, OS May, N Govan, S Notman, SV Ley, TW Chamberlain, RA Bourne
Reaction Chemistry & Engineering
(2023)
8
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DCY Leong, A Jaffe, AC Forse
Journal of Materials Chemistry A
(2023)
11
Chapter 13 Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)
Expert perceptions of game-changing innovations towards net zero
S Perdana, G Xexakis, K Koasidis, M Vielle, A Nikas, H Doukas, A Gambhir, A Anger-Kraavi, E May, B McWilliams, B Boitier
Energy Strategy Reviews
(2023)
45
Cu2SiSe3 as a promising solar absorber: harnessing cation dissimilarity to avoid killer antisites
A Nicolson, SR Kavanagh, CN Savory, GW Watson, DO Scanlon
Journal of Materials Chemistry A
(2023)
11
Reducing non-radiative voltage losses in organic solar cells using molecular encapsulation
A Sharma, L Sharma, J Bertrandie, DR Villalva, Y Gao, CSP De Castro, J Troughton, J Gorenflot, F Laquai, H Bronstein, D Baran
Materials Chemistry Frontiers
(2023)
7
Substituent effects on aromatic interactions in water †
G Tobajas-Curiel, Q Sun, JKM Sanders, P Ballester, CA Hunter
Chemical Science
(2023)
14
Targeted delivery of nanoparticles to a heterogeneous crude oil zone in an unsaturated porous medium
N Jaberi, S Linley, NR Thomson
Environmental Science Water Research & Technology
(2023)
9
Chapter 6 Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
J Cen, B Zhu, SR Kavanagh, AG Squires, DO Scanlon
Journal of Materials Chemistry A
(2023)
11
A formal framework for security testing of automotive over-the-air update systems
R Kirk, HN Nguyen, J Bryans, SA Shaikh, C Wartnaby
Journal of Logical and Algebraic Methods in Programming
(2023)
130
Pseudocapacitive gels based on conjugated polyelectrolytes: thickness and ion diffusion limitations
RJ Vázquez, G Quek, Y Jiang, BY Rui Peng, SR McCuskey, D Ohayon, B Kundukad, X Wang, GC Bazan
Journal of Materials Chemistry A
(2023)
11
Understanding Molecular Simulation
(2023)
Chapter 3 Monte Carlo simulations
D Frenkel, B Smit
(2023)
Temperature dependent fabrication of various rod and rhombohedral-shaped mesoporous Co 3 O 4 crystals and their capability towards elimination of toxic Cr( vi ) ions from the aquatic environment
U Sengupta, A Mukherjee, M Periyasamy, S Mukhopadhyay, KJ Jenkinson, AEH Wheatley, A Kar
New Journal of Chemistry
(2023)
47
Modulated self-assembly ofhcptopology MOFs of Zr/Hf and the extended 4,4′-(ethyne-1,2-diyl)dibenzoate linker
SS Boyadjieva, FCN Firth, MR Alizadeh Kiapi, D Fairen-Jimenez, S Ling, MJ Cliffe, RS Forgan
CrystEngComm
(2023)
25
Development of novel lysine targeting covalent inhibitors for Bruton’s tyrosine kinase and casein kinase 2 and synthesis of novel hybrid androgen receptor inhibitors
RC Bizga Nicolescu
(2023)
In silico prediction of protodeboronation by a mechanistic DFT-aided algorithm
DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin
Aiche Annual Meeting Conference Proceedings
(2023)
2023-November
Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
88
Preface to the second edition
D Frenkel, B Smit
(2023)