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- Currently displaying 1561 - 1580 of 29614 publications
Can $GW$ Handle Multireference Systems?
Journal of Chemical Physics
(2024)
(doi: 10.48550/arxiv.2401.03745)
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)
Palladium (II)-Catalyzed C-H Activation with Bifunctional Ligands: From Curiosity to Industrialization
Angewandte Chemie (International ed. in English)
(2024)
63
e202400509
(doi: 10.1002/anie.202400509)
Electrostatic [FeFe]-hydrogenase-carbon nitride assemblies for efficient solar hydrogen production
Chemical science
(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
Suppression of Dexter transfer by covalent encapsulation for efficient matrix-free narrowband deep blue hyperfluorescent OLEDs
Nature Materials
(2024)
23
519
(doi: 10.1038/s41563-024-01812-4)
doped: Python toolkit for robust and repeatable charged defect supercell calculations
(2024)
(doi: 10.48550/arxiv.2403.08012)
Computational Prediction of an Antimony-Based n-Type Transparent Conducting Oxide: F-Doped Sb2O5
Chemistry of Materials
(2024)
36
2907
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)
Ligand-Directed Self-Assembly of Organic-Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion
J Am Chem Soc
(2024)
146
7763
(doi: 10.1021/jacs.4c00125)
Rationale for the extrapolation procedure in selected configuration interaction.
The Journal of Chemical Physics
(2024)
160
104102
(doi: 10.1063/5.0192458)
Low-temperature open-atmosphere growth of WO3 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)
The minimum energy required to build a cell.
Scientific Reports
(2024)
14
5267
(doi: 10.1038/s41598-024-54303-6)
Aspects of Isostructurality and Polymorphism in a Diverse Group of Monosubstituted Acetanilides
Crystal Growth and Design
(2024)
24
2552
(doi: 10.1021/acs.cgd.4c00027)
MolScore: A scoring and evaluation framework for de novo drug design
(2024)
(doi: 10.26434/chemrxiv-2023-c4867)