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  • Currently displaying 3421 - 3440 of 30921 publications
Author(s)
Publication title
Journal Name
Publication year
Intrinsic Defect Chemistry of High-Voltage LiMn1.5Ni0.5O4 (LMNO) Spinel Cathode
J Cen, B Zhu, S Kavanagh, A Squires, D Scanlon
(2023)
Remodelling Surface Site Interaction Points
MC Storer
(2023)
Rare events
D Frenkel, B Smit
(2023)
Manipulating morphology and composition in colloidal heterometallic nanopods and nanodendrites
S Ming, AEH Wheatley
Nanoscale
(2023)
15
Chapter 8 Free-energy calculations
D Frenkel, B Smit
(2023)
Free energy of chain molecules
D Frenkel, B Smit
(2023)
Free energies of solids
D Frenkel, B Smit
(2023)
Long-ranged interactions
D Frenkel, B Smit
(2023)
Molecular Dynamics simulations
D Frenkel, B Smit
(2023)
Chapter 7 Molecular Dynamics in various ensembles
D Frenkel, B Smit
(2023)
Chapter 3 Monte Carlo simulations
D Frenkel, B Smit
(2023)
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
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
Supramolecular chemistry of p-block elements
DS Wright, H-C Niu
(2023)
1-10
Understanding Molecular Simulation
(2023)
A formal framework for security testing of automotive over-the-air update systems
R Kirk, HN Nguyen, J Bryans, SA Shaikh, C Wartnaby
Journal of Logical and Algebraic Methods in Programming
(2023)
130
1.14 Supramolecular chemistry of p-block elements
DS Wright, H-C Niu
(2023)
Preface to the third edition
D Frenkel, B Smit
(2023)
Particulate matter in a lockdown home: evaluation, calibration, results and health risk from an IoT enabled low-cost sensor network for residential air quality monitoring
N Cowell, L Chapman, W Bloss, D Srivastava, S Bartington, A Singh
Environmental Science: Atmospheres
(2023)
3
Chapter 13 Accelerating Monte Carlo sampling
D Frenkel, B Smit
(2023)