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- Currently displaying 2121 - 2140 of 29245 publications
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 Brønsted-Acid Sites in the Zeolite H-MFI
Angew Chem Int Ed Engl
(2023)
62
e202303204
(doi: 10.1002/anie.202303204)
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
The Journal of chemical physics
(2023)
158
184101
(doi: 10.1063/5.0145767)
Osmolyte-Induced Protein Stability Changes Explained by Graph Theory
(2023)
High-physiological and supra-physiological 1,2-13C2 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)
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)
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)
TREXIO: A file format and library for quantum chemistry
The Journal of chemical physics
(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)
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
Angewandte Chemie International Edition
(2023)
145
10505
(doi: 10.1021/jacs.2c12558)
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
J Am Chem Soc
(2023)
145
10790
(doi: 10.1021/jacs.3c01960)
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering.
J Am Chem Soc
(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)
