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- Currently displaying 4041 - 4060 of 29657 publications
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)
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models
Environ Sci Ecotechnol
(2021)
8
100124
(doi: 10.1016/j.ese.2021.100124)
Fccvs.hcp competition in colloidal hard-sphere nucleation: On their relative stability, interfacial free energy and nucleation rate
Physical Chemistry Chemical Physics
(2021)
23
19611
(doi: 10.1039/d1cp01784e)
Microplastics and anthropogenic fibre concentrations in lakes reflect surrounding land use.
PLoS biology
(2021)
19
e3001389
(doi: 10.1371/journal.pbio.3001389)
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)
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.
Computational Toxicology
(2021)
20
100188
(doi: 10.1016/j.comtox.2021.100188)
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|1of8)
Multicomponent alkene azidoarylation by anion-mediated dual catalysis.
Nature
(2021)
598
597
(doi: 10.1038/s41586-021-03980-8)
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)
Ageing related states of complex network formation in areca nuts
(2021)
On the "Matsubara heating" of overtone intensities and Fermi splittings.
The Journal of Chemical Physics
(2021)
155
104107
(doi: 10.1063/5.0056829)
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
(2021)
(doi: 10.17863/CAM.85023)
Mechanical adaptation of brachiopod shells via hydration-induced structural changes.
Nature Communications
(2021)
12
5383
(doi: 10.1038/s41467-021-25613-4)
Myths of high-throughput experimentation and automation in chemistry
Chem
(2021)
7
2259
(doi: 10.1016/j.chempr.2021.08.012)
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)
Impacts of Hydroperoxymethyl Thioformate on the Global Marine Sulfur Budget
ACS Earth and Space Chemistry
(2021)
5
2577