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- Currently displaying 1701 - 1720 of 29256 publications
Van Vleck Analysis of Angularly Distorted Octahedra using
VanVleckCalculator
(2023)
Highly Efficient Nitrogen-Fixing Microbial Hydrogel Device for Sustainable Solar Hydrogen Production.
Advanced materials (Deerfield Beach, Fla.)
(2023)
35
e2306092
(doi: 10.1002/adma.202306092)
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)
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)
Manifestations of local supersolidity of He4 around a charged molecular impurity
Physical Review Research
(2023)
5
043083
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)
Exploring the parameter space of an endohedral atom in a cylindrical cavity.
J Chem Phys
(2023)
159
164308
(doi: 10.1063/5.0170010)
Atmospheric composition and climate impacts of a future hydrogen economy
Atmospheric Chemistry and Physics
(2023)
23
13451
(doi: 10.5194/acp-23-13451-2023)
Microfluidic antibody profiling after repeated SARS-CoV-2 vaccination links antibody affinity and concentration to impaired immunity and variant escape in patients on anti-CD-20 therapy
(2023)
(doi: 10.1101/2023.10.22.563481)
De novo design of knotted tandem repeat proteins.
Nat Commun
(2023)
14
6746
(doi: 10.1038/s41467-023-42388-y)
Molecular mechanism of α-synuclein aggregation on lipid membranes revealed
(2023)
(doi: 10.1101/2023.10.20.563279)
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion
J Chem Phys
(2023)
159
164101
(doi: 10.1063/5.0158783)
Thesis Access Confirmation Form
(2023)
Exploiting the Catenane Mechanical Bond Effect for Selective Halide Anion Transmembrane Transport
Angewandte Chemie International Edition
(2023)
62
e202312745
(doi: 10.1002/anie.202312745)
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank.
(2023)
(doi: 10.1101/2023.10.15.562398)
Scientific Machine Learning of 2D Perovskite Nanosheet Formation.
J Am Chem Soc
(2023)
145
23076
(doi: 10.1021/jacs.3c05984)
Importance of electronic correlations in exploring the exotic phase diagram of layered LixMnO2
Physical Review B
(2023)
108
165124
(doi: 10.1103/PhysRevB.108.165124)
Morphology-Dependent Investigation of Li-ion Insertion into Single Crystal Hematite α‑Fe2O3 Nanostructures
The Journal of Physical Chemistry C
(2023)
127
20608
(doi: 10.1021/acs.jpcc.3c04966)