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  • Currently displaying 2841 - 2860 of 30651 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
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
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
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
Proceedings of SPIE the International Society for Optical Engineering
(2023)
12327
Analysing ill-conditioned Markov chains
EJ Woods, D Kannan, DJ Sharpe, TD Swinburne, DJ Wales
Philos Trans A Math Phys Eng Sci
(2023)
381
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
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
Energy landscapes and heat capacity signatures for monomers and dimers of amyloid forming hexapeptides
Nicy, DJ Wales
(2023)
Solar-driven liquid multicarbon 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
Physics Inspired Approaches To Understanding Gaussian Processes
MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales
(2023)
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
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
Reply to the 'Comment on "Simulations of ionization equilibria in weak polyelectrolyte solutions and gels"' by J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm and P. Košovan, Soft Matter, 2019, 15, 1155-1185.
P Košovan, J Landsgesell, L Nová, F Uhlík, D Beyer, PM Blanco, R Staňo, C Holm
Soft matter
(2023)
19
Considerably Increased Dynamics of CO-Water Complexes over CO and Water Alone
C Bertram, C Zaum, W Fang, A Michaelides, K Morgenstern
Nano Letters
(2023)
23
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
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
Identification of macrocyclic peptides which activate bacterial cylindrical proteases
R Walther, LM Westermann, S Carmali, SE Jackson, H Brötz-Oesterhelt, DR Spring
RSC medicinal chemistry
(2023)
14