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  • Currently displaying 3381 - 3400 of 30846 publications
Author(s)
Publication title
Journal Name
Publication year
Probing the effects of N-terminal acetylation on α-synuclein structure, aggregation and cytotoxicity
R Bell, M Vendruscolo, JR Kumita
Methods in Enzymology
(2023)
686
Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
88
Monte Carlo simulations
D Frenkel, B Smit
(2023)
Sea ice mechanics
F Paul, C Schwarz, RR Audh, J Bluhm, S Johnson, K MacHutchon, T Mielke, A Mishra, T Rampai, T Ricken, A Schwarz, S Skatulla, A Thom, R Verrinder, JR Schr�der, M Vichi, DC Lupascu
Computer Methods in Material Science
(2023)
23
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)
Particulate matter in a lockdown home: evaluation, calibration, results and health risk from an IoT enabled low-cost sensor network for residential air quality monitoring
N Cowell, L Chapman, W Bloss, D Srivastava, S Bartington, A Singh
Environmental Science Atmospheres
(2023)
3
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
Chemical Science
(2023)
14
Long-ranged interactions
D Frenkel, B Smit
(2023)
Free-energy calculations
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
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
Replication of synthetic recognition-encoded oligomers by ligation of trimer building blocks
D Núñez-Villanueva, CA Hunter
Organic Chemistry Frontiers
(2023)
10
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
Preface to the third edition
D Frenkel, B Smit
(2023)
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 Ten Spin-constrained Hartree–Fock and the generator coordinate method for the 2-site Hubbard model
S De Baerdemacker, A Ayati, HGA Burton, X De Vriendt, P Bultinck, G Acke
(2023)
88
Direct surface analysis mass spectrometry uncovers the vertical distribution of cuticle-associated metabolites in plants
S Saladin, S D'Aronco, G Ingram, C Giorio
RSC Advances
(2023)
13
Cu 2 SiSe 3 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
Cation disorder dominates the defect chemistry of high-voltage LiMn 1.5 Ni 0.5 O 4 (LMNO) spinel cathodes
J Cen, B Zhu, SR Kavanagh, AG Squires, DO Scanlon
Journal of Materials Chemistry A
(2023)
11
Configurational-bias Monte Carlo
D Frenkel, B Smit
(2023)