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- Currently displaying 1901 - 1920 of 30563 publications
100 Years of the Lennard-Jones Potential.
J Chem Theory Comput
(2024)
20
3379
(doi: 10.1021/acs.jctc.4c00135)
Understanding Electrolyte Ion Size Effects on the Performance of Conducting Metal–Organic Framework Supercapacitors
J Am Chem Soc
(2024)
146
12473
(doi: 10.1021/JACS.4C00508)
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
(2024)
(doi: 10.48550/arxiv.2312.09761)
Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes
Proceedings of the National Academy of Sciences of the United States of America
(2024)
(doi: 10.1073/pnas.2318157121)
A Halogen Bonding [2]Rotaxane Shuttle for Chloride‐Selective Optical Sensing
Chemistry – A European Journal
(2024)
30
e202400952
(doi: 10.1002/chem.202400952)
High carrier mobility along the [111] orientation in Cu2O photoelectrodes.
Nature
(2024)
628
765
(doi: 10.1038/s41586-024-07273-8)
Probing Jahn-Teller Distortions and Antisite Defects in LiNiO2 with 7Li NMR Spectroscopy and Density Functional Theory.
Chem Mater
(2024)
36
4226
A Universal Framework for Fast, Flexible and Fun(ctional) Autonomous Laboratories
(2024)
(doi: 10.26434/chemrxiv-2024-990q0)
Maximum entropy determination of mammalian proteome dynamics
Proceedings of the National Academy of Sciences
(2024)
121
e2313107121
(doi: 10.1073/pnas.2313107121)
ORDerly: Data Sets and Benchmarks for Chemical Reaction Data
J Chem Inf Model
(2024)
64
3790
(doi: 10.1021/acs.jcim.4c00292)
Molecular mechanism of α-synuclein aggregation on lipid membranes revealed
Chemical Science
(2024)
15
7229
(doi: 10.1039/d3sc05661a)
Protein language models are performant in structure-free virtual screening
(2024)
(doi: 10.1101/2024.04.16.589765)
Tandem-repeat proteins introduce tuneable properties to engineered biomolecular condensates
(2024)
(doi: 10.1101/2024.04.16.589709)
Biological particle separation techniques based on microfluidics
Interdisciplinary Medicine
(2024)
2
e20240003
(doi: 10.1002/INMD.20240003)
Structural disorder determines capacitance in nanoporous carbons.
Science (New York, N.Y.)
(2024)
384
321
(doi: 10.1126/science.adn6242)
Mechanochemically-induced glass formation from two-dimensional hybrid organic-inorganic perovskites
Chemical science
(2024)
15
7198
(doi: 10.1039/d4sc00905c)
Formation of Calprotectin Inhibits Amyloid Aggregation of S100A8 and S100A9 Proteins
ACS Chemical Neuroscience
(2024)
15
1915
(doi: 10.1021/acschemneuro.4c00093)
Revealing Ion Adsorption and Charging Mechanisms in Layered Metal-Organic Framework Supercapacitors with Solid-State Nuclear Magnetic Resonance
(2024)
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Digit Discov
(2024)
3
1509
(doi: 10.1039/d4dd00039k)
Climatology and Diurnal Variation of Ozone Column Abundances for 2.5 Mars Years as Measured by the NOMAD‐UVIS Spectrometer
Journal of Geophysical Research Planets
(2024)
129
e2023JE008270
(doi: 10.1029/2023je008270)