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- Currently displaying 1941 - 1960 of 29918 publications
CONFPASS: fast DFT re-optimizations of structures from conformation searches
Journal of chemical information and modeling
(2023)
63
4364
(doi: 10.1021/acs.jcim.3c00649)
Tricritical Behavior in Dynamical Phase Transitions.
Physical Review Letters
(2023)
131
017102
xTC: An efficient treatment of three-body interactions in transcorrelated methods
The Journal of chemical physics
(2023)
159
014113
(doi: 10.1063/5.0154445)
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)
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)
Radiative Forcing From the 2014-2022 Volcanic and Wildfire Injections
Geophysical Research Letters
(2023)
50
ARTN e2023GL103791
(doi: 10.1029/2023gl103791)
Discovery and Development of the Enantioselective Minisci Reaction.
Accounts of Chemical Research
(2023)
56
2037
(doi: 10.1021/acs.accounts.3c00247)
Aromatic and arginine content drives multiphasic condensation of protein-RNA mixtures
Biophysical Journal
(2023)
123
1342
(doi: 10.1016/j.bpj.2023.06.024)
Investigations on the Synthesis of Cyclodiphosphazane-based Linear Oligomers and Hybrid Macrocycles
(2023)
Self-replication of Aβ42aggregates occurs on small and isolated fibril sites
(2023)
(doi: 10.1101/2023.07.05.547777)
Stratospheric water vapor affecting atmospheric circulation
Nature Communications
(2023)
14
3925
(doi: 10.1038/s41467-023-39559-2)
Cu-releasing nanoparticles induce the catalytic transamination of amino acids and GSSG under tumor microenvironment conditions
(2023)
(doi: 10.26434/chemrxiv-2023-9ckg2)
Phase separation and molecular ordering of the prion-like domain of the Arabidopsis thermosensory protein EARLY FLOWERING 3
Proc Natl Acad Sci U S A
(2023)
120
e2304714120
(doi: 10.1073/pnas.2304714120)
Impact of Temperature, High Pressure and High Shear on Adsorbed Molecular Layers
(2023)
(doi: 10.17863/CAM.104743)
A Hybrid‐Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers
physica status solidi (a) – applications and materials science
(2023)
221
2300180
(doi: 10.1002/pssa.202300180)
Non-Covalent Interactions in Water Using Synthetic and Biological Receptors
(2023)
(doi: 10.17863/CAM.105856)
Super-resolution imaging unveils the self-replication of tau aggregates upon seeding.
Cell Rep
(2023)
42
112725
(doi: 10.1016/j.celrep.2023.112725)