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  • Currently displaying 3701 - 3720 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
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
Chapter 6 Monte Carlo simulations in various ensembles
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
Chapter 7 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
Chapter 4 Molecular Dynamics simulations
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
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
Computer experiments
D Frenkel, B Smit
(2023)
Chapter 13 Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)
Preface to the third edition
D Frenkel, B Smit
(2023)
Preface to the second edition
D Frenkel, B Smit
(2023)
Introduction
D Frenkel, B Smit
(2023)
Cu 2 SiSe 3 as a promising solar absorber: harnessing cation dissimilarity to avoid killer antisites
A Nicolson, SR Kavanagh, CN Savory, GW Watson, DO Scanlon
Journal of Materials Chemistry A
(2023)
11
Chapter 2 Thermodynamics and statistical mechanics
D Frenkel, B Smit
(2023)
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
Functional polymers from CO2 as feedstock
CWS Yeung, GEKK Seah, AYX Tan, SY Tee, JYC Lim, SS Goh
(2023)
Water oxidation and oxygen reduction reactions: A mechanistic perspective
S Chattopadhyay, S Samanta, A Dey
(2023)
81
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)