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  • Currently displaying 1741 - 1760 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Methyl radical chemistry in non-oxidative methane activation over metal single sites
X Huang, D Eggart, G Qin, BB Sarma, A Gaur, J Yang, Y Pan, M Li, J Hao, H Yu, A Zimina, X Guo, J Xiao, J-D Grunwaldt, X Pan, X Bao
Nature communications
(2023)
14
Weakening of springtime Arctic ozone depletion with climate change
M Friedel, G Chiodo, T Sukhodolov, J Keeble, T Peter, S Seeber, A Stenke, H Akiyoshi, E Rozanov, D Plummer, P Jöckel, G Zeng, O Morgenstern, B Josse
Atmospheric Chemistry and Physics
(2023)
23
Platinum-based nanodendrites as glucose oxidase-mimicking surrogates
JI Garcia-Peiro, J Bonet-Aleta, ML Tamayo-Fraile, JL Hueso, J Santamaria
Nanoscale
(2023)
15
Ganglioside Lipids Inhibit the Aggregation of the Alzheimer’s Related Peptide Amyloid-β
Z Toprakcioglu, AK Jayaram, TPJ Knowles
(2023)
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model.
KM Herman, AJ Stone, SS Xantheas
Journal of Chemical Theory and Computation
(2023)
19
The Implications of Particle Morphology on the Capacity Retention, Side Reactions, and Impedance Build-Up of Nickel-Rich NCMs upon Cycling in Full-Cells: Poly- vs. Single-Crystalline NCM851005
S Oswald, M Bock, HA Gasteiger
Journal of the Electrochemical Society
(2023)
170
Global analysis of energy landscapes for materials modeling: A test case for C60
G Csányi, JWR Morgan, DJ Wales
J Chem Phys
(2023)
159
Energy landscapes for proteins described by the UNRES coarse-grained potential
PA Wesołowski, AK Sieradzan, MJ Winnicki, JWR Morgan, DJ Wales
Biophysical chemistry
(2023)
303
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon.
H Ding, L Xue, J Cui, Y Wang, D Zhao, X Zhi, R Liu, J Fu, S Liu, B Fu, J Shi, X Xu, GK Li
Journal of hazardous materials
(2023)
460
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
WC Witt, C van der Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, CH Ho, WJ Baldwin, M Sachs, J Kermode, N Bernstein, G Csányi, C Ortner
(2023)
Fully First-Principles Surface Spectroscopy with Machine Learning
Y Litman, J Lan, Y Nagata, DM Wilkins
The journal of physical chemistry letters
(2023)
14
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks
S Bhattacharjee, C Guo, E Lam, JM Holstein, M Rangel Pereira, CM Pichler, C Pornrungroj, M Rahaman, T Uekert, F Hollfelder, E Reisner
J Am Chem Soc
(2023)
145
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
Physical Review B
(2023)
108
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
Nicy, R Collepardo-Guevara, JA Joseph, DJ Wales
QRB Discovery
(2023)
4
A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR‐II Photothermal Conversion for E. coli‐Responsive Photothermal Therapy
H Hu, Y-Y Zhang, H Ma, Y Yang, S Mei, J Li, J-F Xu, X Zhang
Angew Chem Int Ed Engl
(2023)
62
Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores (vol 8, pg 325, 2024)
SE Sandler, NE Weckman, S Yorke, A Das, K Chen, R Gutierrez, UF Keyser
Nature biomedical engineering
(2023)
8
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room‐Temperature Solvated Ionic Liquid
DMC Ould, S Menkin, HE Smith, V Riesgo‐González, TH Smith, MNB Chinn, E Jónsson, AD Bond, CP Grey, DS Wright
ChemElectroChem
(2023)
11
Effects of Processing‐Induced Contamination on Organic Electronic Devices
D Simatos, IE Jacobs, I Dobryden, M Nguyen, A Savva, D Venkateshvaran, M Nikolka, J Charmet, LJ Spalek, M Gicevičius, Y Zhang, G Schweicher, DJ Howe, S Ursel, J Armitage, IB Dimov, U Kraft, W Zhang, M Alsufyani, I McCulloch, RM Owens, PM Claesson, TPJ Knowles, H Sirringhaus
Small Methods
(2023)
7
Of hopeful narratives and historical injustices – An analysis of just transition narratives in European coal regions
L Hermwille, M Schulze-Steinen, V Brandemann, M Roelfes, Z Vrontisi, E Kesküla, A Anger-Kraavi, Ł Trembaczowski, W Mandrysz, R Muster, A Zygmunt-Ziemianek
Energy Research and Social Science
(2023)
104
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
E Gelžinytė, S Wengert, TK Stenczel, HH Heenen, K Reuter, G Csányi, N Bernstein
J Chem Phys
(2023)
159