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- Currently displaying 3241 - 3260 of 29344 publications
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)
Liquid-liquid phase separation underpins the formation of replication factories in rotaviruses.
– The EMBO Journal
(2021)
40,
embj2021107711
(doi: 10.15252/embj.2021107711)
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)
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)
Machine learning potentials for complex aqueous made
– Proc Natl Acad Sci U S A
(2021)
118,
e2110077118
(doi: 10.1073/pnas.2110077118)
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)
Machine learning potentials for complex aqueous systems made simple
– Proceedings of the National Academy of Sciences
(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)
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)
Multicomponent alkene azidoarylation by anion-mediated dual catalysis
– Nature
(2021)
598,
597
(doi: 10.1038/s41586-021-03980-8)
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
(2021)
(doi: 10.17863/CAM.85023)
On the “Matsubara heating” of overtone intensities and Fermi splittings
– The Journal of Chemical Physics
(2021)
155,
104107
(doi: 10.1063/5.0056829)
Mechanical adaptation of brachiopod shells via hydration-induced structural changes.
– Nat Commun
(2021)
12,
5383
(doi: 10.1038/s41467-021-25613-4)
In silico approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity.
– Computational toxicology (Amsterdam, Netherlands)
(2021)
20,
100187
(doi: 10.1016/j.comtox.2021.100187)
Myths of high-throughput experimentation and automation in chemistry
– Chem
(2021)
7,
2259
(doi: 10.1016/j.chempr.2021.08.012)