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- Currently displaying 3121 - 3140 of 31569 publications
Tensor-Reduced Atomic Density Representations
Phys Rev Lett
(2023)
131
028001
The density and pressure of helium nano-bubbles encapsulated in silicon
Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences
(2023)
479
20230081
(doi: 10.1098/rspa.2023.0081)
Mesitylated trityl radicals, a platform for doublet emission: symmetry breaking, charge-transfer states and conjugated polymers
Nature communications
(2023)
14
4147
(doi: 10.1038/s41467-023-39834-2)
Heterogeneous-Driven Glutathione Oxidation: Defining the Catalytic Role of Chalcopyrite Nanoparticles.
The Journal of Physical Chemistry C
(2023)
127
14146
(doi: 10.1021/acs.jpcc.3c00987)
Triplet-Encoded Prebiotic RNA Aminoacylation.
J Am Chem Soc
(2023)
145
15971
(doi: 10.1021/jacs.3c03931)
Carbohydrate recognition using metal-ligand assemblies
Org Biomol Chem
(2023)
21
5492
(doi: 10.1039/d3ob00649b)
Quantitative Attribution of the Protective Effects of Aminosterols against Protein Aggregates to Their Chemical Structures and Ability to Modulate Biological Membranes.
J Med Chem
(2023)
66
9519
(doi: 10.1021/acs.jmedchem.3c00182)
EGFR-targeted semiconducting polymer nanoparticles for photoacoustic imaging
Bioorg Med Chem
(2023)
91
117412
(doi: 10.1016/j.bmc.2023.117412)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
J Chem Inf Model
(2023)
63
4364
(doi: 10.1021/acs.jcim.3c00649)
Multiconfigurational nature of electron correlation within nitrogen vacancy centers in diamond
Physical Review B
(2023)
108
045111
(doi: 10.1103/PhysRevB.108.045111)
Tricritical Behavior in Dynamical Phase Transitions
Phys Rev Lett
(2023)
131
017102
Hydrogen‐Bonding Induced Crosslinked Polymer Network for Highly Stable Electrochromic Device and a Construction Strategy for Black‐Bilayer Electrochromic Film
Small (Weinheim an der Bergstrasse, Germany)
(2023)
19
e2303359
(doi: 10.1002/smll.202303359)
Asymmetric Synthesis of Chiral‐at‐P Alkenylphosphonamidates through Nickel‐Catalyzed C−P Coupling of Phosphoramidites and Alkenyl Halides
Angewandte Chemie
(2023)
135
e202307450
(doi: 10.1002/ange.202307450)
Asymmetric Synthesis of Chiral-at-P Alkenylphosphonamidates through Nickel-Catalyzed C−P Coupling of Phosphoramidites and Alkenyl Halides
Angewandte Chemie (International ed. in English)
(2023)
62
e202307450
(doi: 10.1002/anie.202307450)
Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design
Nature Machine Intelligence
(2023)
5
754
(doi: 10.1038/s42256-023-00683-9)
Radiative Forcing From the 2014-2022 Volcanic and Wildfire Injections
Geophysical Research Letters
(2023)
50
e2023GL103791
(doi: 10.1029/2023gl103791)
Electron transfer at electrode interfaces via a straightforward quasiclassical fermionic mapping approach
The Journal of chemical physics
(2023)
159
014109
(doi: 10.1063/5.0156136)
xTC: An efficient treatment of three-body interactions in transcorrelated methods
The Journal of chemical physics
(2023)
159
014113
(doi: 10.1063/5.0154445)
Hole-limited electrochemical doping in conjugated polymers
Nature materials
(2023)
22
1121
(doi: 10.1038/s41563-023-01601-5)
Predicting the electronic density response of condensed-phase systems to electric field perturbations
The Journal of Chemical Physics
(2023)
159
014103
(doi: 10.1063/5.0154710)