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- Currently displaying 4101 - 4120 of 29681 publications
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
The Journal of Open Source Software
(2021)
6
3458
(doi: 10.21105/joss.03458)
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
J Chem Theory Comput
(2021)
17
5684
(doi: 10.1021/acs.jctc.1c00589)
Nonhuman IAPP Variants Inhibit Human IAPP Aggregation.
Protein Pept Lett
(2021)
28
963
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
S17
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
(2021)
(doi: 10.17863/CAM.80344)
Data-Driven Research for Amorphous Materials: Towards Seamless Utilization of Publication Data in Chemical Sciences
(2021)
(doi: 10.17863/CAM.79174)
Modelling the macroeconomics of a 'closing the green finance gap' scenario for an energy transition
Environmental Innovation and Societal Transitions
(2021)
40
536
(doi: 10.1016/j.eist.2021.10.006)
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
Toxicology Letters
(2021)
350
s124
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)
The Amyloid-β Pathway in Alzheimer's Disease
Mol Psychiatry
(2021)
26
5481
(doi: 10.1038/s41380-021-01249-0)
Correlating local structure and sodium storage in hard carbon anodes: insights from pair distribution function analysis and solid-state NMR
Journal of the American Chemical Society
(2021)
143
14274
(doi: 10.1021/jacs.1c06058)
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)
Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater
(2021)
(doi: 10.5194/acp-2021-624)
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)
Automated and Continuous-Flow Platform to Analyze Semiconductor-Metal Complex Hybrid Systems for Photocatalytic CO2Reduction
ACS Catalysis
(2021)
11
11266
(doi: 10.1021/acscatal.1c02921)
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)
Alpha synuclein only forms fibrils in vitro when larger than its critical size of 70 monomers.
ChemBioChem
(2021)
22
2867
(doi: 10.1002/cbic.202100285)