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- Currently displaying 2001 - 2020 of 29278 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)
Alkali Metal Halide Ion‐Pair Binding in Conformationally Dynamic Halogen Bonding Heteroditopic [2]Rotaxanes
Chemistry
(2023)
29
e202301316
(doi: 10.1002/chem.202301316)
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 Syst
(2023)
14
464
(doi: 10.1016/j.cels.2023.05.003)
Regulatory transcription factor (CooA)-driven carbon monoxide partial pressure sensing whole-cell biosensor.
Heliyon
(2023)
9
e17391
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
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
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)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
(2023)
(doi: 10.26434/chemrxiv-2023-74p0j)
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)
Does a change in the 'global net zero' language matter?
Global Sustainability
(2023)
6
e13
(doi: 10.1017/sus.2023.11)
Insights into soft short circuit-based degradation of lithium metal batteries.
Faraday Discussions
(2023)
248
277
(doi: 10.1039/D3FD00101F)
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.
Inorganic Chemistry: including bioinorganic chemistry
(2023)
62
10317
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.
Nature Chemistry
(2023)
15
948
(doi: 10.1038/s41557-023-01232-y)
An Activity-Based Sensing Approach to Monitor Nanomaterial-Promoted Changes in Labile Metal Pools in Living Systems
(2023)