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- Currently displaying 3321 - 3340 of 31514 publications
High-physiological and supra-physiological 1,2-13C2 glucose focal supplementation to the traumatised human brain
Journal of Cerebral Blood Flow and Metabolism
(2023)
43
1685
(doi: 10.1177/0271678X231173584)
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)
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
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.
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
The 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
The 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)
A Photoredox Reaction for the Selective Modification of 5-Carboxycytosine in DNA.
J Am Chem Soc
(2023)
145
10505
(doi: 10.1021/jacs.2c12558)
Braided Fiber Current Collectors for High‐Energy‐Density Fiber Lithium‐Ion Batteries
Angew Chem Int Ed Engl
(2023)
62
e202303616
(doi: 10.1002/anie.202303616)
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)