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- Currently displaying 3681 - 3700 of 29853 publications
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
Journal of Physical Chemistry Letters
(2021)
12
9108
(doi: 10.1021/acs.jpclett.1c02574)
Fcc vs. 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)
Liquid-liquid phase separation underpins the formation of replication factories in rotaviruses.
The EMBO Journal
(2021)
40
e107711
(doi: 10.15252/embj.2021107711)
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)
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)
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)
Microplastics and anthropogenic fibre concentrations in lakes reflect surrounding land use.
PLoS Biol
(2021)
19
e3001389
(doi: 10.1371/journal.pbio.3001389)
Machine learning potentials for complex aqueous systems made simple
Proceedings of the National Academy of Sciences
(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.
Proc Natl Acad Sci U S A
(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)
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 of the United States of America
(2021)
118
e2108790118
(doi: 10.1073/pnas.2108790118)
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)
Ageing related states of complex network formation in areca nuts
(2021)
Mechanical adaptation of brachiopod shells via hydration-induced structural changes.
Nat Commun
(2021)
12
5383
(doi: 10.1038/s41467-021-25613-4)
On the "Matsubara heating" of overtone intensities and Fermi splittings.
Journal of Chemical Physics
(2021)
155
104107
(doi: 10.1063/5.0056829)