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  • Currently displaying 2321 - 2340 of 29659 publications
Author(s)
Publication title
Journal Name
Publication year
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
Bioinspired 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
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
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
Branch Unit Distribution Matters for Gene Delivery.
Y Li, Z He, X Wang, Z Li, M Johnson, R Foley, A Sigen, J Lyu, W Wang
ACS Macro Lett
(2023)
12
Supercomputing modelling of advanced materials: preface
CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley
Philos Trans A Math Phys Eng Sci
(2023)
381
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
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
Impact of HO2 aerosol uptake on radical levels and O3 production during summertime in Beijing
JE Dyson, LK Whalley, EJ Slater, R Woodward-Massey, C Ye, JD Lee, F Squires, JR Hopkins, RE Dunmore, M Shaw, JF Hamilton, AC Lewis, SD Worrall, A Bacak, A Mehra, TJ Bannan, H Coe, CJ Percival, B Ouyang, CN Hewitt, RL Jones, LR Crilley, LJ Kramer, WJF Acton, WJ Bloss, S Saksakulkrai, J Xu, Z Shi, RM Harrison, S Kotthaus, S Grimmond, Y Sun, W Xu, S Yue, L Wei, P Fu, X Wang, SR Arnold, DE Heard
Atmospheric Chemistry and Physics
(2023)
23
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
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
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)
Nanoplasmonic Decoration of Sacrificial Bacteria: Directing Interparticle Coupling Toward Multiplex Analysis of Antiseptic Alcohols
M Ghamsari, N Fahimi-Kashani, MR Hormozi-Nezhad
ACS Applied Materials & Interfaces
(2023)
15
Physics Inspired Approaches To Understanding Gaussian Processes
MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales
(2023)
Solar-driven liquid multi-carbon fuel production using a standalone perovskite-BiVO4 artificial leaf
M Rahaman, V Andrei, D Wright, E Lam, C Pornrungroj, S Bhattacharjee, C Pichler, H Greer, J Baumberg, E Reisner
Nature Energy
(2023)
8
Hydrogen production via electrolysis: Operando monitoring and analyses
BY Kaplan, AC Kırlıoğlu, M Alinezhadfar, MA Zabara, NR Mojarrad, B Iskandarani, A Yürüm, CS Ozkan, M Ozkan, SA Gürsel
Chem Catalysis
(2023)
3
Considerably Increased Dynamics of CO-Water Complexes over CO and Water Alone
C Bertram, C Zaum, W Fang, A Michaelides, K Morgenstern
Nano Lett
(2023)
23
Identification of macrocyclic peptides which activate bacterial cylindrical proteases
R Walther, LM Westermann, S Carmali, SE Jackson, H Brötz-Oesterhelt, DR Spring
RSC Med Chem
(2023)
14
Time-Dependent Material Properties of Aging Biomolecular Condensates from Different Viscoelasticity Measurements in Molecular Dynamics Simulations.
AR Tejedor, R Collepardo-Guevara, J Ramírez, JR Espinosa
Journal of Physical Chemistry B
(2023)
127