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  • Currently displaying 2981 - 3000 of 30887 publications
Author(s)
Publication title
Journal Name
Publication year
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
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 Letters
(2023)
12
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
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
Nat Commun
(2023)
14
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
Supercomputing modelling of advanced materials: preface
CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2023)
381
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.
G Li Manni, I Fdez Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, D Avagliano, A Baiardi, JJ Bao, S Battaglia, L Birnoschi, A Blanco-González, SI Bokarev, R Broer, R Cacciari, PB Calio, RK Carlson, R Carvalho Couto, L Cerdán, LF Chibotaru, NF Chilton, JR Church, I Conti, S Coriani, J Cuéllar-Zuquin, RE Daoud, N Dattani, P Decleva, C de Graaf, MG Delcey, L De Vico, W Dobrautz, SS Dong, R Feng, N Ferré, M Filatov Gulak, L Gagliardi, M Garavelli, L González, Y Guan, M Guo, MR Hennefarth, MR Hermes, CE Hoyer, M Huix-Rotllant, VK Jaiswal, A Kaiser, DS Kaliakin, M Khamesian, DS King, V Kochetov, M Krośnicki, AA Kumaar, ED Larsson, S Lehtola, M-B Lepetit, H Lischka, P López Ríos, M Lundberg, D Ma, S Mai, P Marquetand, ICD Merritt, F Montorsi, M Mörchen, A Nenov, VHA Nguyen, Y Nishimoto, MS Oakley, M Olivucci, M Oppel, D Padula, R Pandharkar, QM Phung, F Plasser, G Raggi, E Rebolini, M Reiher, I Rivalta, D Roca-Sanjuán, T Romig, AA Safari, A Sánchez-Mansilla, AM Sand, I Schapiro, TR Scott, J Segarra-Martí, F Segatta, D-C Sergentu, P Sharma, R Shepard, Y Shu, JK Staab, TP Straatsma, LK Sørensen, BNC Tenorio, DG Truhlar, L Ungur, M Vacher, V Veryazov, TA Voß, O Weser, D Wu, X Yang, D Yarkony, C Zhou, JP Zobel, R Lindh
Journal of chemical theory and computation
(2023)
19
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
Journal of medicinal chemistry
(2023)
66
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
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
Characterization of products formed from the oxidation of toluene and m-xylene with varying NOx and OH exposure.
D Srivastava, W Li, S Tong, Z Shi, RM Harrison
Chemosphere
(2023)
334
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 Appl Mater 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: Operandu 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
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
The Journal of Physical Chemistry B
(2023)
127
Oxa-di-π-methane Rearrangement of a Substrate Embodying the Platencin Core Provides the Decahydro-1H-cyclopenta[c]indene Framework Associated with Various Diterpenes and Certain Lycopodium Alkaloids
MG Banwell, SY Ye, F Khan, MG Gardiner, P Lan
Synlett
(2023)
34
An in situ liquid environment for synchrotron hard X-ray nanoprobe microscopy
GT van de Kerkhof, JM Walker, S Agrawal, SM Clarke, MH Sk, DJ Craske, R Lindsay, M Dowhyj, A Osundare, ME Schuster, JE Parker
Materials at High Temperatures
(2023)
40
Towards sequence-based principles for protein phase separation predictions.
M Vendruscolo, M Fuxreiter
Curr Opin Chem Biol
(2023)
75