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  • Currently displaying 3121 - 3140 of 30391 publications
Author(s)
Publication title
Journal Name
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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
Plasmonic noble metal (Ag and Au) nanoparticles: From basics to colorimetric sensing applications
N Fahimi-Kashani, A Orouji, M Ghamsari, SK Sahoo, MR Hormozi-Nezhad
(2023)
Chapter 6 Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
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
Modulated self-assembly of hcp topology 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
Automated pipetting robot for proxy high-throughput viscometry of Newtonian fluids
BW Soh, A Chitre, WY Lee, D Bash, JN Kumar, K Hippalgaonkar
Digital Discovery
(2023)
2
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
Enantioselective C-C bond formation in complex multicatalytic systems
L Veth, P Dydio
(2023)
73
Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
88
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 and Engineering
(2023)
8
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
Free energies of solids
D Frenkel, B Smit
(2023)
Chapter 5 Computer experiments
D Frenkel, B Smit
(2023)
Preface to first edition
D Frenkel, B Smit
(2023)
Understanding the limits of Li-NMC811 half-cells
RC McNulty, E Hampson, LN Cutler, CP Grey, WM Dose, LR Johnson
Journal of Materials Chemistry A
(2023)
11
Mesoscopic fluid models
D Frenkel, B Smit
(2023)
Understanding Molecular Simulation: From Algorithms to Applications, Third Edition
(2023)
Free energy of chain molecules
D Frenkel, B Smit
(2023)
Time-scale-separation problems in MD
D Frenkel, B Smit
(2023)