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- Currently displaying 1761 - 1780 of 29490 publications
In-situ iron corrosion in brine using TEM
– MRS Advances
(2023)
8,
376
(doi: 10.1557/s43580-023-00533-1)
Folded Spectrum VQE : A quantum computing method for the calculation of
molecular excited states
(2023)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
(2023)
(doi: 10.1101/2023.05.05.539523)
Conformational changes in protein kinase A along its activation cycle are rooted in the folding energetics of cyclic-nucleotide binding domains
– Journal of Biological Chemistry
(2023)
299,
104790
(doi: 10.1016/j.jbc.2023.104790)
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
(2023)
(doi: 10.17863/CAM.107219)
TREXIO: A file format and library for quantum chemistry.
– The Journal of chemical physics
(2023)
158,
174801
(doi: 10.1063/5.0148161)
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods
– J Phys Chem Lett
(2023)
14,
4440
(doi: 10.1021/acs.jpclett.3c00494)
A Photoredox Reaction for the Selective Modification of 5‑Carboxycytosine in DNA
– Journal of the American Chemical Society
(2023)
145,
10505
(doi: 10.1021/jacs.2c12558)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory.
– Journal of Physical Chemistry A
(2023)
127,
4538
(doi: 10.1021/acs.jpca.3c00603)
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W;
$X$=S, Se) Monolayers
(2023)
Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C-C Bond Cleavage Reactions.
– Journal of the American Chemical Society
(2023)
145,
10790
(doi: 10.1021/jacs.3c01960)
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering
– Journal of the American Chemical Society
(2023)
145,
10712
(doi: 10.1021/jacs.3c00971)
Trapping of Photoluminescent Kinetic Intermediates During High-Concentration Synthesis of Non-Emissive Metal-Organic Frameworks
(2023)
(doi: 10.26434/chemrxiv-2023-1k3bw)
Glucagon-like peptide 1 aggregates into low-molecular-weight oligomers off-pathway to fibrillation
– Biophysical Journal
(2023)
122,
2475
(doi: 10.1016/j.bpj.2023.04.027)
Diffusion-assisted displacive transformation in Yttrium-doped Sb2Te3 phase change materials
– Acta Materialia
(2023)
249,
118809
Characterisation of neurodegenerative diseases derived protein aggregates using improved single-molecule pull-down
(2023)
(doi: 10.17863/CAM.106192)
AbNatiV: VQ-VAE-based assessment of antibody and nanobody nativeness for hit selection, humanisation, and engineering
(2023)
(doi: 10.1101/2023.04.28.538712)
Understanding Lithium-Ion Dynamics in Single-Ion and Salt-in- Polymer Perfluoropolyethers and Polyethyleneglycol Electrolytes Using Solid-State NMR
– Macromolecules
(2023)
56,
3650
(doi: 10.1021/acs.macromol.2c02160)
Surfaces for Study of Receptor Dynamics on T Cells.
– Methods in Molecular Biology
(2023)
2654,
41
(doi: 10.1007/978-1-0716-3135-5_3)