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- Currently displaying 3741 - 3760 of 29855 publications
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
Journal of chemical theory and computation
(2021)
17
5684
(doi: 10.1021/acs.jctc.1c00589)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
s17
Modulating Chalcogen Bonding and Halogen Bonding Sigma-Hole Donor Atom Potency and Selectivity for Halide Anion Recognition
Angew Chem Int Ed Engl
(2021)
60
21973
(doi: 10.1002/anie.202108591)
Visible light photocatalysts from low-grade iron ore; the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites
Environmental Science and Pollution Research
(2021)
29
6698
(doi: 10.1007/s11356-021-15972-2)
Visible light photocatalysts from low-grade iron ore: the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites.
Environ Sci Pollut Res Int
(2021)
29
6698
(doi: 10.1007/s11356-021-15972-2)
The Amyloid-β Pathway in Alzheimer's Disease.
Mol Psychiatry
(2021)
26
5481
(doi: 10.1038/s41380-021-01249-0)
Automated and Continuous-Flow Platform to Analyze Semiconductor-Metal Complex Hybrid Systems for Photocatalytic CO2 Reduction
ACS Catalysis
(2021)
11
11266
(doi: 10.1021/acscatal.1c02921)
Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater
(2021)
(doi: 10.5194/acp-22-2309-2022)
Correlating Local Structure and Sodium Storage in Hard Carbon Anodes: Insights from Pair Distribution Function Analysis and Solid-State NMR
J Am Chem Soc
(2021)
143
14274
(doi: 10.1021/jacs.1c06058)
Cerebral Microdialysate Metabolite Monitoring using Mid-infrared Spectroscopy.
Analytical chemistry
(2021)
93
11929
(doi: 10.1021/acs.analchem.1c01149)
High-throughput selection and characterisation of aptamers on optical next-generation sequencers
International Journal of Molecular Sciences
(2021)
22
9202
(doi: 10.3390/ijms22179202)
Counterbalancing light absorption and ionic transport losses in the electrolyte for integrated solar water splitting with III–V/Si dual-junctions
APPLIED PHYSICS LETTERS
(2021)
119
083904
(doi: 10.1063/5.0060700)
Antibonding-Induced Anomalous Temperature Dependence of the Band Gap in Crystalline Ge2Sb2Te5
Journal of Physical Chemistry C
(2021)
125
19537
(doi: 10.1021/acs.jpcc.1c05342)
Alpha Synuclein only Forms Fibrils In Vitro when Larger than its Critical Size of 70 Monomers.
Chembiochem : a European journal of chemical biology
(2021)
22
2867
(doi: 10.1002/cbic.202100285)
Differential interaction with TREM2 modulates microglial uptake of modified Aβ species
Glia
(2021)
69
2917
(doi: 10.1002/glia.24077)
Targeted modulation of protein liquid-liquid phase separation by evolution of amino-acid sequence.
PLoS Comput Biol
(2021)
17
e1009328
(doi: 10.1371/journal.pcbi.1009328)
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
The Journal of chemical physics
(2021)
155
084801
(doi: 10.1063/5.0055522)
A 68-codon genetic code to incorporate four distinct non-canonical amino acids enabled by automated orthogonal mRNA design.
Nat Chem
(2021)
13
1110
(doi: 10.1038/s41557-021-00764-5)
Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging
Wiley Interdisciplinary Reviews Computational Molecular Science
(2021)
12
ARTN e1570
(doi: 10.1002/wcms.1570)