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- Currently displaying 3081 - 3100 of 30921 publications
Competition between lanes and transient jammed clusters in driven binary mixtures
(2023)
Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted‐Acid Sites in the Zeolite H‐MFI
Angewandte Chemie
(2023)
135
e202303204
(doi: 10.1002/ange.202303204)
Spectroscopic Signatures of Internal Hydrogen Bonds of Bronsted-Acid Sites in the Zeolite H-MFI
Angew Chem Int Ed Engl
(2023)
62
e202303204
(doi: 10.1002/anie.202303204)
Nuclear spin diffusion in the central spin system of a GaAs/AlGaAs quantum dot
Nature communications
(2023)
14
2677
(doi: 10.1038/s41467-023-38349-0)
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water
J Chem Phys
(2023)
158
184504
(doi: 10.1063/5.0144500)
Triarylamines as Catholytes in Aqueous Organic Redox Flow Batteries
Chemsuschem
(2023)
16
e202300128
(doi: 10.1002/cssc.202300128)
A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems
Journal of Chemical Physics
(2023)
158
184101
(doi: 10.1063/5.0145767)
Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
(2023)
Osmolyte-Induced Protein Stability Changes Explained by Graph Theory
(2023)
High-physiological and supra-physiological 1,2-13C2 glucose focal supplementation to the traumatised human brain.
Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism
(2023)
43
1685
(doi: 10.1177/0271678X231173584)
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.
The Journal of biological chemistry
(2023)
299
104790
(doi: 10.1016/j.jbc.2023.104790)
Finding Excited-state Minimum Energy Crossing Points on a Budget: Non-self-consistent Tight-Binding Methods
The Journal of Physical Chemistry Letters
(2023)
14
4440
(doi: 10.1021/acs.jpclett.3c00494)
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.
J Chem Phys
(2023)
158
174801
(doi: 10.1063/5.0148161)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
The journal of physical chemistry. A
(2023)
127
4538
(doi: 10.1021/acs.jpca.3c00603)
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)