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- Currently displaying 2121 - 2140 of 29918 publications
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water.
J Chem Phys
(2023)
158
184504
(doi: 10.1063/5.0144500)
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)
Triarylamines as Catholytes in Aqueous Organic Redox Flow Batteries
Chemsuschem
(2023)
16
e202300128
(doi: 10.1002/cssc.202300128)
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)
Folded Spectrum VQE : A quantum computing method for the calculation of
molecular excited states
(2023)
A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems
J Chem Phys
(2023)
158
184101
(doi: 10.1063/5.0145767)
Osmolyte-Induced Protein Stability Changes Explained by Graph Theory
(2023)
High-physiological and supra-physiological 1,2-<sup>13</sup>C<sub>2</sub> glucose focal supplementation to the traumatised human brain.
Journal of Cerebral Blood Flow & Metabolism
(2023)
43
1685
(doi: 10.1177/0271678X231173584)
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)
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)
TREXIO: A file format and library for quantum chemistry
Journal of Chemical Physics
(2023)
158
174801
(doi: 10.1063/5.0148161)
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W;
$X$=S, Se) Monolayers
(2023)
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 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)
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)
