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  • Currently displaying 2001 - 2020 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Archetypal solution spaces for clustering gene expression datasets in identification of cancer subtypes
Y Wu, L Dicks, DJ Wales
(2023)
On the possible locus of the liquid–liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model
JR Espinosa, JLF Abascal, LF Sedano, E Sanz, C Vega
The Journal of chemical physics
(2023)
158
A Novel Study on the Role of Pressure on Surface Adsorption from Solutions
N Sharifi, T Liu, SM Clarke
The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter
(2023)
127
Substituent effects on aromatic interactions in water
G Tobajas-Curiel, Q Sun, JKM Sanders, P Ballester, CA Hunter
Chemical Science
(2023)
14
Large simulated future changes in the nitrate radical under the CMIP6 SSP scenarios: implications for oxidation chemistry
S Archer-Nicholls, R Allen, NL Abraham, PT Griffiths, AT Archibald
Atmospheric Chemistry and Physics
(2023)
23
Magnetically driven preparation of 1-D nano-necklaces capable of MRI relaxation enhancement
AM King, T Insinna, CJR Wells, IA Raby, YK Gun'ko, G-L Davies
Nanoscale Adv
(2023)
5
Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions
Y Zhang, B Ourri, P-T Skowron, E Jeamet, T Chetot, C Duchamp, AM Belenguer, N Vanthuyne, O Cala, E Dumont, PK Mandal, I Huc, F Perret, L Vial, J Leclaire
Chemical Science
(2023)
14
Bio-inspired Photonic Materials from Cellulose: Fabrication, Optical Analysis and Applications
RM Parker, TG Parton, CLC Chan, MM Bay, B Frka-Petesic, S Vignolini
Accounts of Materials Research
(2023)
4
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
Simulating organic aerosol in Delhi with WRF-Chem using the volatility-basis-set approach: exploring model uncertainty with a Gaussian process emulator
E Reyes-Villegas, D Lowe, JS Johnson, KS Carslaw, E Darbyshire, M Flynn, JD Allan, H Coe, Y Chen, O Wild, S Archer-Nicholls, A Archibald, S Singh, M Shrivastava, RA Zaveri, V Singh, G Beig, R Sokhi, G McFiggans
Atmospheric Chemistry and Physics
(2023)
23
Exploring the Value of Improvisational Theater in Medical Education for Advancing the Doctor-Patient Relationship and Health Equity
JM Rusiecki, NM Orlov, JA Dolan, MP Smith, M Zhu, MH Chin
Acad Med
(2023)
98
Chemo-Mechanical Analysis of Lithiation/Delithiation of Ni-rich Single Crystals
SS Pandurangi, DS Hall, CP Grey, VS Deshpande, NA Fleck
Journal of The Electrochemical Society
(2023)
170
NMR Methodology for Measuring Dissolved O2 and Transport in Lithium–Air Batteries
E Wang, E Jónsson, CP Grey
The Journal of Physical Chemistry C
(2023)
127
Supercomputing modelling of advanced materials: Preface
CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley
Philos Trans A Math Phys Eng Sci
(2023)
381
Anion redox as a means to derive layered manganese oxychalcogenides with exotic intergrowth structures
S Sasaki, S Giri, SJ Cassidy, S Dey, M Batuk, D Vandemeulebroucke, G Cibin, RI Smith, P Holdship, CP Grey, J Hadermann, SJ Clarke
Nature communications
(2023)
14
Explaining Blood-Brain Barrier Permeability of Small Molecules by Integrated Analysis of Different Transport Mechanisms
FMG Cornelissen, G Markert, G Deutsch, M Antonara, N Faaij, I Bartelink, D Noske, WP Vandertop, A Bender, BA Westerman
J Med Chem
(2023)
66
NMR Methodology for Measuring Dissolved O-2 and Transport in Lithium-Air Batteries
E Wang, E Jónsson, CP Grey
Journal of Physical Chemistry C
(2023)
127
Label-free detection of proteins with optofluidic hollow-core photonic crystal fibre sensors
JR Heck, E Miele, R Mouthaan, MH Frosz, TPJ Knowles, TG Euser
SPIE Future Sensing Technologies 2023
(2023)
12327
Analysing ill-conditioned Markov chains
EJ Woods, D Kannan, DJ Sharpe, TD Swinburne, DJ Wales
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2023)
381
Energy landscapes and heat capacity signatures for monomers and dimers of amyloid forming hexapeptides
Nicy, DJ Wales
(2023)