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- Currently displaying 1541 - 1560 of 29366 publications
Self-Consistent Chemical Pressure Analysis: Resolving Atomic Packing Effects through the Iterative Partitioning of Space and Energy.
– Journal of chemical theory and computation
(2023)
19,
4273
(doi: 10.1021/acs.jctc.3c00368)
Microscopic Origin of Electrochemical Capacitance in Metal-Organic Frameworks
– J Am Chem Soc
(2023)
145,
14529
(doi: 10.1021/jacs.3c04625)
Positional influence on cellular transcriptional identity revealed through spatially segmented single-cell transcriptomics.
– Cell systems
(2023)
14,
464
(doi: 10.1016/j.cels.2023.05.003)
Elucidating the Role of Cucurbit[8]uril Host-Guest Interactions in Supramolecular Microscale Fibres and Nanocomposites
(2023)
(doi: 10.17863/CAM.102061)
Orders of magnitude increased accuracy for quantum many-body problems on quantum computers via an exact transcorrelated method
– Physical Review Research
(2023)
5,
023174
Bottom-Up Synthesis of Crystalline Covalent Organic Framework Nanosheets, Nanotubes, and Kippah Vesicles: An Odd–Even Effect Induction
– J Am Chem Soc
(2023)
145,
14475
(doi: 10.1021/jacs.3c03831)
wfl Python Toolkit for Creating Machine Learning Interatomic Potentials and Related Atomistic Simulation Workflows
(2023)
(doi: 10.48550/arxiv.2306.11421)
O3 to O1 Phase Transitions in Highly Delithiated NMC811 at Elevated Temperatures
– Chemistry of materials : a publication of the American Chemical Society
(2023)
35,
4979
Integrated capture and solar-driven utilization of CO2 from flue gas and air
– Joule
(2023)
7,
1496
(doi: 10.1016/j.joule.2023.05.022)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
(2023)
(doi: 10.26434/chemrxiv-2023-74p0j)
Insights into soft short circuit-based degradation of lithium metal batteries.
– Faraday Discuss
(2023)
248,
277
(doi: 10.1039/D3FD00101F)
Does a change in the 'global net zero' language matter?
– Global Sustainability
(2023)
6,
e13
(doi: 10.1017/sus.2023.11)
Hetero-Diels-Alder Reaction between Singlet Oxygen and Anthracene Drives Integrative Cage Self-Sorting
(2023)
(doi: 10.26434/chemrxiv-2023-st339)
Magnetic and Magnetocaloric Properties of the A2LnSbO6 Lanthanide Oxides on the Frustrated fcc Lattice
– Inorg Chem
(2023)
62,
10317
Investigating the Structure and Physical Stability of Glp1-Like Peptides Using Mass Spectrometry
(2023)
(doi: 10.17863/CAM.105655)
An Activity-Based Sensing Approach to Monitor Nanomaterial-Promoted Changes in Labile Metal Pools in Living Systems
(2023)
Direct Synthesis of Acetone by Aerobic Propane Oxidation Promoted by Photoactive Iron(III) Chloride under Mild Conditions
– ACS Catalysis
(2023)
13,
8662
(doi: 10.1021/acscatal.3c02092)
Quintuply orthogonal pyrrolysyl-tRNA synthetase/tRNAPyl pairs.
– Nat Chem
(2023)
15,
948
(doi: 10.1038/s41557-023-01232-y)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
(2023)