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- Currently displaying 2381 - 2400 of 30563 publications
Van Vleck Analysis of Angularly Distorted Octahedra using VanVleckCalculator
(2023)
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)
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
Angew Chem Int Ed Engl
(2023)
62
e202311186
(doi: 10.1002/anie.202311186)
Manifestations of local supersolidity of He 4 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)
Atmospheric composition and climate impacts of a future hydrogen economy
Atmospheric Chemistry and Physics
(2023)
23
13451
(doi: 10.5194/acp-23-13451-2023)
Machine Learning Nucleation Collective Variables with Graph Neural Networks.
J Chem Theory Comput
(2023)
20
1600
(doi: 10.1021/acs.jctc.3c00722)
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)
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.
Nature Communications
(2023)
14
6746
(doi: 10.1038/s41467-023-42388-y)
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.
The Journal of chemical physics
(2023)
159
164101
(doi: 10.1063/5.0158783)
Molecular mechanism of α-synuclein aggregation on lipid membranes revealed
(2023)
(doi: 10.1101/2023.10.20.563279)
Thesis Access Confirmation Form
(2023)
Multicolor electrochromic polymers based on butterfly-shaped monomers for the visualization of energy storage
Electrochimica Acta
(2023)
466
143071
Exploiting the Catenane Mechanical Bond Effect for Selective Halide Anion Transmembrane Transport.
Angewandte Chemie International Edition
(2023)
62
e202312745
(doi: 10.1002/anie.202312745)
Mixed-Cation Vacancy-Ordered Perovskites (Cs2Ti1-x Sn x X6; X = I or Br): Low-Temperature Miscibility, Additivity, and Tunable Stability
The Journal of Physical Chemistry C
(2023)
127
21399
(doi: 10.1021/acs.jpcc.3c05204)
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank.
(2023)
(doi: 10.1101/2023.10.15.562398)
Polarisation effects on the H-bond acceptor properties of secondary amides
CHEMICAL SCIENCE
(2023)
14
11151
(doi: 10.1039/d3sc03823h)
Aromatic interactions with heterocycles in water
CHEMICAL SCIENCE
(2023)
14
11131
(doi: 10.1039/d3sc03824f)