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- Currently displaying 2741 - 2760 of 30357 publications
Dynamic mechanostereochemical switching of a co-conformationally flexible [2]catenane controlled by specific ionic guests
(2023)
(doi: 10.26434/chemrxiv-2023-jm9nw)
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.
J Biol Chem
(2023)
299
104790
(doi: 10.1016/j.jbc.2023.104790)
TREXIO: A file format and library for quantum chemistry.
J Chem Phys
(2023)
158
174801
(doi: 10.1063/5.0148161)
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
(2023)
(doi: 10.17863/CAM.107219)
Finding Excited-state Minimum Energy Crossing Points on a Budget: Non-self-consistent Tight-Binding Methods
Journal of Physical Chemistry Letters
(2023)
14
4440
(doi: 10.1021/acs.jpclett.3c00494)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
J Phys Chem 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)
A Photoredox Reaction for the Selective Modification of 5-Carboxycytosine in DNA.
J Am Chem Soc
(2023)
145
10505
(doi: 10.1021/jacs.2c12558)
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering.
Journal of the American Chemical Society
(2023)
145
10712
(doi: 10.1021/jacs.3c00971)
Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C-C Bond Cleavage Reactions.
J Am Chem Soc
(2023)
145
10790
(doi: 10.1021/jacs.3c01960)
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)
Early detection of COPD patients’ symptoms with personal environmental sensors: a remote sensing framework using probabilistic latent component analysis with linear dynamic systems
Neural computing & applications
(2023)
35
17247
(doi: 10.1007/s00521-023-08554-5)
AbNatiV: VQ-VAE-based assessment of antibody and nanobody nativeness for hit selection, humanisation, and engineering
(2023)
(doi: 10.1101/2023.04.28.538712)
The Intermetallic Reactivity Database: Compiling Chemical Pressure and Electronic Metrics toward Materials Design and Discovery
Chemistry of Materials
(2023)
35
3582
The Structural Stability Limit of Layered Lithium Transition Metal Oxides Due to Oxygen Release at High State of Charge and Its Dependence on the Nickel Content
Journal of The Electrochemical Society
(2023)
170
030506
(doi: 10.1149/1945-7111/acbf80)