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  • Currently displaying 1961 - 1980 of 29948 publications
Author(s)
Publication title
Journal Name
Publication year
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches
CC Lam, JM Goodman
Journal of Chemical Information and Modeling
(2023)
63
Tricritical Behavior in Dynamical Phase Transitions.
T Agranov, ME Cates, RL Jack
Physical Review Letters
(2023)
131
Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design
HYI Lam, R Pincket, H Han, XE Ong, Z Wang, J Hinks, Y Wei, W Li, L Zheng, Y Mu
Nature Machine Intelligence
(2023)
5
Radiative Forcing From the 2014–2022 Volcanic and Wildfire Injections
P Yu, RW Portmann, Y Peng, C Liu, Y Zhu, E Asher, Z Bai, Y Lu, J Bian, M Mills, A Schmidt, KH Rosenlof, OB Toon
Geophysical Research Letters
(2023)
50
Asymmetric Synthesis of Chiral‐at‐P Alkenylphosphonamidates through Nickel‐Catalyzed C−P Coupling of Phosphoramidites and Alkenyl Halides
X Chen, D Padín, CN Stindt, BL Feringa
Angewandte Chemie
(2023)
135
xTC: An efficient treatment of three-body interactions in transcorrelated methods.
EM Christlmaier, T Schraivogel, P López Ríos, A Alavi, D Kats
The Journal of chemical physics
(2023)
159
Asymmetric Synthesis of Chiral-at-P Alkenylphosphonamidates through Nickel-Catalyzed C−P Coupling of Phosphoramidites and Alkenyl Halides
X-B Chen, D Padín, CN Stindt, BL Feringa
Angewandte Chemie International Edition
(2023)
62
Self-replication of Aβ42aggregates occurs on small and isolated fibril sites
S Curk, J Krausser, G Meisl, D Frenkel, S Linse, TCT Michaels, TPJ Knowles, A Šarić
(2023)
Investigations on the Synthesis of Cyclodiphosphazane-based Linear Oligomers and Hybrid Macrocycles
A Terzopoulos
(2023)
Towards Photoredox-Cleavable Prodrugs
J Mandrup Kandemir
(2023)
The Discovery and Development of the Enantioselective Minisci Reaction
PD Bacoş, ASK Lahdenperä, RJ Phipps
Accounts of Chemical Research
(2023)
56
Aromatic and arginine content drives multiphasic condensation of protein–RNA mixtures
PY Chew, JA Joseph, R Collepardo-Guevara, A Reinhardt
Biophys J
(2023)
123
Stratospheric water vapor affecting atmospheric circulation.
E Charlesworth, F Plöger, T Birner, R Baikhadzhaev, M Abalos, NL Abraham, H Akiyoshi, S Bekki, F Dennison, P Jöckel, J Keeble, D Kinnison, O Morgenstern, D Plummer, E Rozanov, S Strode, G Zeng, T Egorova, M Riese
Nature communications
(2023)
14
Phase separation and molecular ordering of the prion-like domain of the Arabidopsis thermosensory protein EARLY FLOWERING 3.
S Hutin, JR Kumita, VI Strotmann, A Dolata, WL Ling, N Louafi, A Popov, P-E Milhiet, M Blackledge, MH Nanao, PA Wigge, Y Stahl, L Costa, MD Tully, C Zubieta
Proc Natl Acad Sci U S A
(2023)
120
Cu-releasing nanoparticles induce the catalytic transamination of amino acids and GSSG under tumor microenvironment conditions
J Bonet-Aleta, JV Alegre-Requena, J Martin-Martin, M Encinas-Gimenez, A Martin-Pardillos, P Martin-Duque, JL Hueso, J Santamaria
(2023)
Impact of Temperature, High Pressure and High Shear on Adsorbed Molecular Layers
N Sharifi
(2023)
A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers
A Akkoush, Y Litman, M Rossi
Physica Status Solidi A Applications and Materials Science
(2023)
221
Non-Covalent Interactions in Water Using Synthetic and Biological Receptors
G Tobajas Curiel
(2023)
Ligands as Structural Probes for Amyloid Fibrils
TS Chisholm
(2023)
Nitrogen-doped carbon nanodots deposited on titania nanoparticles: Unconventional near-infrared active photocatalysts for cancer therapy
A Madrid, A Martín-Pardillos, J Bonet-Aleta, M Sancho-Albero, G Martinez, J Calzada-Funes, P Martin-Duque, J Santamaria, JL Hueso
Catalysis Today
(2023)
419