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  • Currently displaying 3281 - 3300 of 30657 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(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
Chapter 10 Free energy of chain molecules
D Frenkel, B Smit
(2023)
Thermodynamics and statistical mechanics
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
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
Concerted versus stepwise mechanisms of cyclic proton transfer: Experiments, simulations, and current challenges
Y-H Cheng, Y-C Zhu, X-Z Li, W Fang
Chinese Physics B
(2023)
32
Chapter 3 Monte Carlo simulations
D Frenkel, B Smit
(2023)
Free-energy calculations
D Frenkel, B Smit
(2023)
Chapter 1 Introduction
D Frenkel, B Smit
(2023)
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
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
Understanding Molecular Simulation
(2023)
Preface to first edition
D Frenkel, B Smit
(2023)
Chapter 6 Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
Preface to the second edition
D Frenkel, B Smit
(2023)
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
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