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- Currently displaying 1301 - 1320 of 29849 publications
Deciphering ACE2-RBD binding affinity through peptide scanning: A molecular dynamics simulation approach.
Comput Biol Med
(2024)
173
108325
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States
J Chem Theory Comput
(2024)
20
2491
(doi: 10.1021/acs.jctc.3c01378)
Principles of assembly and regulation of condensates of Polycomb repressive complex 1 through phase separation
Cell Reports
(2024)
43
113997
(doi: 10.1016/j.celrep.2024.113997)
Nanoparticle-Catalyzed Transamination under Tumor Microenvironment Conditions: A Novel Tool to Disrupt the Pool of Amino Acids and GSSG in Cancer Cells
Nano Lett
(2024)
24
4091
(doi: 10.1021/acs.nanolett.3c04947)
Multicomponent Synthesis of α-Branched Amines via a Zinc-Mediated Carbonyl Alkylative Amination Reaction.
Journal of the American Chemical Society
(2024)
146
9045
(doi: 10.1021/jacs.3c14037)
Can GW Handle Multireference Systems
Journal of Chemical Physics
(2024)
160
114101
(doi: 10.1063/5.0196561)
Can $GW$ Handle Multireference Systems?
Journal of Chemical Physics
(2024)
(doi: 10.48550/arxiv.2401.03745)
Palladium (II)‐Catalyzed C−H Activation with Bifunctional Ligands: From Curiosity to Industrialization
Angewandte Chemie International Edition
(2024)
63
e202400509
(doi: 10.1002/anie.202400509)
Suppression of Dexter transfer by covalent encapsulation for efficient matrix-free narrowband deep blue hyperfluorescent OLEDs.
Nature materials
(2024)
23
1
(doi: 10.1038/s41563-024-01812-4)
Electrostatic [FeFe]-hydrogenase–carbon nitride assemblies for efficient solar hydrogen production
Chem Sci
(2024)
15
6088
(doi: 10.1039/d4sc00640b)
Insights into charge transfer dynamics of Li batteries through temperature-dependent electrochemical impedance spectroscopy (EIS) utilizing symmetric cell configuration
Electrochimica Acta
(2024)
485
144080
Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression.
The Journal of Chemical Physics
(2024)
160
104303
(doi: 10.1063/5.0197903)
Estimating the causal effect of temperature on ozone air pollution
(2024)
Rationale for the extrapolation procedure in selected configuration interaction
Journal of Chemical Physics
(2024)
160
104102
(doi: 10.1063/5.0192458)
Ligand Directed Self-Assembly of Organic- Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion
Journal of the American Chemical Society
(2024)
146
7763
(doi: 10.1021/jacs.4c00125)
Low-temperature open-atmosphere growth of WO 3 thin films with tunable and high-performance photoresponse
Journal of Materials Chemistry C
(2024)
12
4779
(doi: 10.1039/D3TC02257A)
PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models
(2024)
(doi: 10.26434/chemrxiv-2024-z5jnt)
Understanding Biology in the Age of Artificial Intelligence
(2024)
Susceptibility of hypertensive individuals to acute blood pressure increases in response to personal-level environmental temperature decrease.
Environ Int
(2024)
185
108567
(doi: 10.1016/j.envint.2024.108567)