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- Currently displaying 4041 - 4060 of 29659 publications
New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis
(2021)
(doi: 10.26434/chemrxiv-2021-dnkh4)
Submersed micropatterned structures control active nematic flow, topology, and concentration
Proceedings of the National Academy of Sciences
(2021)
118
e2106038118
(doi: 10.1073/pnas.2106038118)
Lone pair driven anisotropy in antimony chalcogenide semiconductors
(2021)
(doi: 10.48550/arxiv.2109.08117)
ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science.
Journal of chemical information and modeling
(2021)
61
4280
(doi: 10.1021/acs.jcim.1c00446)
An empirical model for solvation based on surface site interaction points
Chemical Science
(2021)
12
13193
(doi: 10.1039/d1sc03392a)
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces.
The journal of physical chemistry letters
(2021)
12
9108
(doi: 10.1021/acs.jpclett.1c02574)
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models
Environmental science and ecotechnology
(2021)
8
100124
(doi: 10.1016/j.ese.2021.100124)
Photoredox Catalyzed Dehydrogenative Csp³-Csp² Cross-Coupling of Alkylarenes to Aldehydes in Flow
The Journal of Organic Chemistry
(2021)
86
13559
(doi: 10.1021/acs.joc.1c01621)
Fcc vs. hcp competition in colloidal hard-sphere nucleation: on their relative stability, interfacial free energy and nucleation rate
Physical chemistry chemical physics : PCCP
(2021)
23
19611
(doi: 10.1039/d1cp01784e)
Liquid-liquid phase separation underpins the formation of replication factories in rotaviruses.
The EMBO journal
(2021)
40
embj2021107711
(doi: 10.15252/embj.2021107711)
Trapping or slowing the diffusion of T cell receptors at close contacts initiates T cell signaling.
Proc Natl Acad Sci U S A
(2021)
118
e2024250118
(doi: 10.1073/pnas.2024250118)
New Route to Battery Grade NaPF6 for Na-Ion Batteries: Expanding
the Accessible Concentration
Angewandte Chemie International Edition
(2021)
(doi: 10.1002/anie.202111215)
Defect-Dependent Corrugation in Graphene.
Nano letters
(2021)
21
8143
(doi: 10.1021/acs.nanolett.1c02585)
Microplastics and anthropogenic fibre concentrations in lakes reflect surrounding land use.
PLoS Biology
(2021)
19
e3001389
(doi: 10.1371/journal.pbio.3001389)
Deformable and robust core-shell protein microcapsules templated by liquid-liquid phase-separated microdroplets
Advanced Materials Interfaces
(2021)
8
2101071
(doi: 10.1002/admi.202101071)
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities
Comput Toxicol
(2021)
20
100188
(doi: 10.1016/j.comtox.2021.100188)
Machine learning potentials for complex aqueous systems made simple
Proceedings of the National Academy of Sciences
(2021)
118
e2110077118
(doi: 10.1073/pnas.2110077118)
Multicomponent alkene azidoarylation by anion-mediated dual catalysis
Nature
(2021)
598
597
(doi: 10.1038/s41586-021-03980-8)
The binding of the small heat-shock protein αB-crystallin to fibrils of α-synuclein is driven by entropic forces.
Proceedings of the National Academy of Sciences
(2021)
118
e2108790118
(doi: 10.1073/pnas.2108790118)
Combating small-molecule aggregation with machine learning
Cell Reports Physical Science
(2021)
2
100573
(doi: 10.1016/j.xcrp.2021.100573)