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- Currently displaying 1741 - 1760 of 29853 publications
Methyl radical chemistry in non-oxidative methane activation over metal single sites
Nature communications
(2023)
14
5716
(doi: 10.1038/s41467-023-41192-y)
Weakening of springtime Arctic ozone depletion with climate change
Atmospheric Chemistry and Physics
(2023)
23
10235
(doi: 10.5194/acp-23-10235-2023)
Platinum-based nanodendrites as glucose oxidase-mimicking surrogates
Nanoscale
(2023)
15
14399
(doi: 10.1039/d3nr02026f)
Ganglioside Lipids Inhibit the Aggregation of the Alzheimer’s Related Peptide Amyloid-β
(2023)
(doi: 10.1101/2023.09.10.556751)
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model.
Journal of Chemical Theory and Computation
(2023)
19
6805
(doi: 10.1021/acs.jctc.3c00575)
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
Journal of the Electrochemical Society
(2023)
170
090505
(doi: 10.1149/1945-7111/acf3a1)
Global analysis of energy landscapes for materials modeling: A test case for C60
J Chem Phys
(2023)
159
104107
(doi: 10.1063/5.0167857)
Energy landscapes for proteins described by the UNRES coarse-grained potential
Biophysical chemistry
(2023)
303
107107
(doi: 10.1016/j.bpc.2023.107107)
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon.
Journal of hazardous materials
(2023)
460
132520
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
(2023)
(doi: 10.48550/arxiv.2309.03161)
Fully First-Principles Surface Spectroscopy with Machine Learning
The journal of physical chemistry letters
(2023)
14
8175
(doi: 10.1021/acs.jpclett.3c01989)
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks
J Am Chem Soc
(2023)
145
20355
(doi: 10.1021/jacs.3c05486)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
Physical Review B
(2023)
108
115112
(doi: 10.1103/PhysRevB.108.115112)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
QRB Discovery
(2023)
4
e7
(doi: 10.1017/qrd.2023.5)
A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR‐II Photothermal Conversion for E. coli‐Responsive Photothermal Therapy
Angew Chem Int Ed Engl
(2023)
62
e202308513
(doi: 10.1002/anie.202308513)
Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores (vol 8, pg 325, 2024)
Nature biomedical engineering
(2023)
8
335
(doi: 10.1038/s41551-023-01099-x)
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room‐Temperature Solvated Ionic Liquid
ChemElectroChem
(2023)
11
e202300381
(doi: 10.1002/celc.202300381)
Effects of Processing‐Induced Contamination on Organic Electronic Devices
Small Methods
(2023)
7
e2300476
(doi: 10.1002/smtd.202300476)
Of hopeful narratives and historical injustices – An analysis of just transition narratives in European coal regions
Energy Research and Social Science
(2023)
104
103263
(doi: 10.1016/j.erss.2023.103263)
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
J Chem Phys
(2023)
159
124801
(doi: 10.1063/5.0156845)