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- Currently displaying 5421 - 5440 of 31556 publications
Linear Atomic Cluster Expansion Force Fields forOrganic Molecules: beyond RMSE
(2021)
(doi: 10.26434/chemrxiv-2021-7qlf5)
Identification of SARS-CoV-2-induced pathways reveals drug repurposing strategies.
Science Advances
(2021)
7
eabh3032
(doi: 10.1126/sciadv.abh3032)
Variations of the Hartree-Fock fractional-spin error for one electron
(2021)
(doi: 10.48550/arxiv.2105.07506)
Impact of Orientational Glass Formation and Local Strain on PhotoInduced Halide Segregation in Hybrid Metal-Halide Perovskites
Journal of Physical Chemistry C
(2021)
125
15025
(doi: 10.1021/acs.jpcc.1c03169)
Exploring the Solution Formation of UiO Family Hf Metal-Organic Framework clusters with in situ X-Ray Pair Distribution Function Analysis
(2021)
(doi: 10.26434/chemrxiv-2021-ssr8z)
Supplementary material to "Evaluation of global EMEP MSC-W (rv4.34)-WRF (v3.9.1.1) model surface concentrations and wet deposition of reactive N and S with measurements"
(2021)
Rapid one-pot iterative diselenide–selenoester ligation using a novel coumarin-based photolabile protecting group
Chem Sci
(2021)
12
10014
(doi: 10.1039/d1sc02781f)
Evaluation of global EMEP MSC-W (rv4.34)-WRF (v3.9.1.1) model surface concentrations and wet deposition of reactive N and S with measurements
(2021)
(doi: 10.5194/gmd-2021-166)
Exploring the Solution Formation of UiO Family Hf Metal-Organic Framework clusters with in situ X-Ray Pair Distribution Function Analysis
(2021)
(doi: 10.33774/chemrxiv-2021-ssr8z)
Unknown Eruption Source Parameters Cause Large Uncertainty in Historical Volcanic Radiative Forcing Reconstructions
Journal of Geophysical Research: Atmospheres
(2021)
126
e2020JD033578
(doi: 10.1029/2020JD033578)
Enantioselective Intermolecular C-H Amination Directed by a Chiral Cation.
Journal of the American Chemical Society
(2021)
143
10070
(doi: 10.1021/jacs.1c05206)
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
npj Computational Materials
(2021)
7
97
(doi: 10.1038/s41524-021-00559-9)
Chemical profiling of DNA G-quadruplex-interacting proteins in live cells
Nature chemistry
(2021)
13
626
(doi: 10.1038/s41557-021-00736-9)
Uncovering the Hidden Landscape of Tris(4‐pyridyl) Ligands: Topological Complexity Derived from the Bridgehead
Chemistry: A European Journal
(2021)
27
12036
(doi: 10.1002/chem.202101291)
Incorporation of nanogels within calcite single crystals for the storage, protection and controlled release of active compounds.
Chemical Science
(2021)
12
9839
(doi: 10.1039/d1sc02991f)
The Role of Metal–Organic Frameworks in Moderating Platinum-Based Ethanol Electrooxidation Catalysts
The Journal of Physical Chemistry C
(2021)
125
14263
(doi: 10.1021/acs.jpcc.1c02563)
Interplay between order and disorder in natural photonic structures
2021 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC)
(2021)
00
1
Nuclear dynamics of singlet exciton fission in pentacene single crystals
Science Advances
(2021)
7
eabg0869
(doi: 10.1126/sciadv.abg0869)
Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal-organic frameworks.
J Mater Chem A Mater
(2021)
9
16006
(doi: 10.1039/d1ta04026j)