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  • Currently displaying 3141 - 3160 of 30444 publications
Author(s)
Publication title
Journal Name
Publication year
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)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
Chemical Science
(2023)
14
Chapter 14 Time-scale-separation problems in MD
D Frenkel, B Smit
(2023)
Replication of synthetic recognition-encoded oligomers by ligation of trimer building blocks
D Núñez-Villanueva, CA Hunter
Organic Chemistry Frontiers
(2023)
10
Configurational-bias Monte Carlo
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
Introduction
D Frenkel, B Smit
(2023)
Chapter 2 Thermodynamics and statistical mechanics
D Frenkel, B Smit
(2023)
Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
Enantioselective C-C bond formation in complex multicatalytic systems
L Veth, P Dydio
(2023)
73
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
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
Preface to first edition
D Frenkel, B Smit
(2023)
Molecular Dynamics simulations
D Frenkel, B Smit
(2023)
Ultrahigh overall-performance phase-change memory by yttrium dragging
B Liu, K Li, J Zhou, L Wu, Z Song, W Zhao, SR Elliott, Z Sun
Journal of Materials Chemistry C
(2023)
11
Energy Landscapes for Proteins Described by the Unres Coarse-Grained Potential
PA WesoĊ‚owski, AK Sieradzan, MJ Winnicki, JW Morgan, DJ Wales
(2023)
Biophysical characterization of biomolecular condensates through microfluidic technologies
T Welsh
(2023)
Mesoscopic fluid models
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
Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
88