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  • Currently displaying 2901 - 2920 of 30138 publications
Author(s)
Publication title
Journal Name
Publication year
Chapter 11 Long-ranged interactions
D Frenkel, B Smit
(2023)
Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)
Functional polymers from CO2 as feedstock
CWS Yeung, GEKK Seah, AYX Tan, SY Tee, JYC Lim, SS Goh
(2023)
Molecular Dynamics in various ensembles
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
Preface to the third edition
D Frenkel, B Smit
(2023)
Thermodynamics and statistical mechanics
D Frenkel, B Smit
(2023)
Modulated self-assembly ofhcptopology 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
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
Chemical Science
(2023)
14
Polarisation effects on the H-bond acceptor properties of secondary amides
FE Hanna, AJ Root, CA Hunter
Chemical Science
(2023)
14
Monte Carlo simulations
D Frenkel, B Smit
(2023)
Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
88
Chapter 8 Free-energy calculations
D Frenkel, B Smit
(2023)
Chapter 1 Introduction
D Frenkel, B Smit
(2023)
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
Enantioselective C–C bond formation in complex multicatalytic systems
L Veth, P Dydio
(2023)
73
OPPORTUNITIES FOR INNOVATION WITH BIOSIMILARS
I Simpson, G Spooner
Ondrugdelivery
(2023)
2023
Chapter 6 Monte Carlo simulations in various ensembles
D Frenkel, B Smit
(2023)
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
Supramolecular chemistry of p-block elements
DS Wright, H-C Niu
(2023)
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