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- Currently displaying 1281 - 1300 of 29408 publications
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in
Oxide-Supported Nanoclusters
(2023)
Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions
– J Chem Theory Comput
(2023)
20,
1612
(doi: 10.1021/acs.jctc.3c00719)
Exact hydrodynamics and onset of phase separation for an active exclusion process
– Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences
(2023)
479,
20230524
(doi: 10.1098/rspa.2023.0524)
The strength of a constrained lithium layer
– Acta Materialia
(2023)
260,
119313
Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization
– Environ Sci Technol
(2023)
57,
18259
(doi: 10.1021/acs.est.3c05300)
Transmembrane anion transport mediated by sigma-hole interactions
– Trends in Chemistry
(2023)
5,
792
(doi: 10.1016/j.trechm.2023.06.001)
Antibody-Based Imaging of Bioreductive Prodrug Release in Hypoxia
– Jacs Au
(2023)
3,
3237
(doi: 10.1021/jacsau.3c00562)
Genetic engineering of structural colour in the model organism, Flavobacterium IR1
(2023)
(doi: 10.17863/CAM.107611)
Contrast inversion of ferrite and pearlite in a sweet corrosion environment
– Applied Surface Science
(2023)
635,
157744
(doi: 10.1016/j.apsusc.2023.157744)
Roadmap on Photovoltaic Absorber Materials for Sustainable Energy Conversion
(2023)
(doi: 10.48550/arxiv.2310.19430)
Van Vleck Analysis of Angularly Distorted Octahedra using
VanVleckCalculator
(2023)
Manifestations of local supersolidity of He 4 around a charged molecular impurity
– Physical Review Research
(2023)
5,
043083
Merging the Isonitrile-Tetrazine (4+1) Cycloaddition and the Ugi Four-Component Reaction into a Single Multicomponent Process
– Angew Chem Int Ed Engl
(2023)
62,
e202311186
(doi: 10.1002/anie.202311186)
Merging the Isonitrile‐Tetrazine (4+1) Cycloaddition and the Ugi Four‐Component Reaction into a Single Multicomponent Process
– Angewandte Chemie
(2023)
135,
(doi: 10.1002/ange.202311186)
Exploring the parameter space of an endohedral atom in a cylindrical cavity
– The Journal of chemical physics
(2023)
159,
164308
(doi: 10.1063/5.0170010)
Molecular Dynamics: Investigating the Self-Association of Stearic Acid and Heteroassociation of Stearic Acid–Water in Cyclohexane
– ACS Omega
(2023)
8,
41100
(doi: 10.1021/acsomega.3c03473)
Machine Learning Nucleation Collective Variables with Graph Neural Networks.
– Journal of chemical theory and computation
(2023)
20,
1600
(doi: 10.1021/acs.jctc.3c00722)