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- Currently displaying 3281 - 3300 of 29383 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 of the United States of America
(2021)
118,
e2106038118
(doi: 10.1073/pnas.2106038118)
An Empirical Model for Solvation Based on Surface Site Interaction Points
– Chemical science
(2021)
12,
13193
(doi: 10.1039/d1sc03392a)
ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science
– J Chem Inf Model
(2021)
61,
4280
(doi: 10.1021/acs.jcim.1c00446)
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
– J Org Chem
(2021)
86,
13559
(doi: 10.1021/acs.joc.1c01621)
Trapping or slowing the diffusion of T cell receptors at close contacts initiates T cell signaling
– Proceedings of the National Academy of Sciences
(2021)
118,
e2024250118
(doi: 10.1073/pnas.2024250118)
Liquid-liquid phase separation underpins the formation of replication factories in rotaviruses
– EMBO Journal
(2021)
40,
embj2021107711
(doi: 10.15252/embj.2021107711)
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)
Fccvs.hcp competition in colloidal hard-sphere nucleation: On their relative stability, interfacial free energy and nucleation rate
– Phys Chem Chem Phys
(2021)
23,
19611
(doi: 10.1039/d1cp01784e)
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)
The binding of the small heat-shock protein αB-crystallin to fibrils of α-synuclein is driven by entropic forces.
– Proc Natl Acad Sci U S A
(2021)
118,
e2108790118
(doi: 10.1073/pnas.2108790118)
Multicomponent alkene azidoarylation by anion-mediated dual catalysis.
– Nature
(2021)
598,
597
(doi: 10.1038/s41586-021-03980-8)
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities.
– Computational Toxicology
(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 of the United States of America
(2021)
118,
e2110077118
(doi: 10.1073/pnas.2110077118)
Combating small-molecule aggregation with machine learning
– Cell Reports Physical Science
(2021)
2,
100573
(doi: 10.1016/j.xcrp.2021.100573)
Machine learning potentials for complex aqueous systems made simple
– Proceedings of the National Academy of Sciences of the United States of America
(2021)
118,
e2110077118
(doi: 10.1073/pnas.2110077118)
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)