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- Currently displaying 2381 - 2400 of 30563 publications
Merging the Isonitrile-Tetrazine (4+1) Cycloaddition and the Ugi Four-Component Reaction into a Single Multicomponent Process
Angewandte Chemie International Edition
(2023)
62
e202311186
(doi: 10.1002/anie.202311186)
Machine Learning Nucleation Collective Variables with Graph Neural Networks
J Chem Theory Comput
(2023)
20
1600
(doi: 10.1021/acs.jctc.3c00722)
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)
Exploring the parameter space of an endohedral atom in a cylindrical cavity
Journal of Chemical Physics
(2023)
159
164308
(doi: 10.1063/5.0170010)
De novo design of knotted tandem repeat proteins.
Nat Commun
(2023)
14
6746
(doi: 10.1038/s41467-023-42388-y)
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)
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.
J Chem Phys
(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-xSnxX6; X = I or Br): Low-Temperature Miscibility, Additivity, and Tunable Stability
Journal of Physical Chemistry C
(2023)
127
21399
(doi: 10.1021/acs.jpcc.3c05204)
Polarisation effects on the H-bond acceptor properties of secondary amides
CHEMICAL SCIENCE
(2023)
14
11151
(doi: 10.1039/d3sc03823h)
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank
(2023)
(doi: 10.1101/2023.10.15.562398)
Aromatic interactions with heterocycles in water
CHEMICAL SCIENCE
(2023)
14
11131
(doi: 10.1039/d3sc03824f)
DeepRCI: predicting RNA-chromatin interactions via deep learning with multi-omics data.
Quantitative Biology
(2023)
11
275
(doi: 10.15302/J-QB-022-0316)
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)
Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4
J Am Chem Soc
(2023)
145
23739
(doi: 10.1021/jacs.3c08232)