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  • Currently displaying 3561 - 3580 of 31138 publications
Author(s)
Publication title
Journal Name
Publication year
Catalytic, asymmetric carbon–nitrogen bond formation using metal nitrenoids: from metal–ligand complexes via metalloporphyrins to enzymes
A Fanourakis, RJ Phipps
Chemical Science
(2023)
14
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
Rare events
D Frenkel, B Smit
(2023)
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
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
Chapter 10 Free energy of chain molecules
D Frenkel, B Smit
(2023)
Configurational-bias Monte Carlo
D Frenkel, B Smit
(2023)
Chapter 11 Long-ranged interactions
D Frenkel, B Smit
(2023)
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
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)
Enantioselective C-C bond formation in complex multicatalytic systems
L Veth, P Dydio
(2023)
73
Computer experiments
D Frenkel, B Smit
(2023)
Preface to first edition
D Frenkel, B Smit
(2023)
Molecular Dynamics simulations
D Frenkel, B Smit
(2023)
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)
Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
Chapter 7 Molecular Dynamics in various ensembles
D Frenkel, B Smit
(2023)
Understanding Molecular Simulation
(2023)
Water oxidation and oxygen reduction reactions: A mechanistic perspective
S Chattopadhyay, S Samanta, A Dey
(2023)
81