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- Currently displaying 2001 - 2020 of 30555 publications
Can $GW$ Handle Multireference Systems?
Journal of Chemical Physics
(2024)
(doi: 10.48550/arxiv.2401.03745)
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?
The Journal of Chemical Physics
(2024)
160
114101
(doi: 10.1063/5.0196561)
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)
Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes.
JACS Au
(2024)
4
1775
(doi: 10.1021/jacsau.3c00668)
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)
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)
Computational Prediction of an Antimony-Based n-Type Transparent Conducting Oxide: F-Doped Sb2O5.
Chem Mater
(2024)
36
2907
Estimating the causal effect of temperature on ozone air pollution
(2024)
Cyclization-enhanced poly(β-amino ester)s vectors for efficient CRISPR gene editing therapy.
J Control Release
(2024)
368
444
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
J Am Chem Soc
(2024)
146
7763
(doi: 10.1021/jacs.4c00125)
PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models
(2024)
(doi: 10.26434/chemrxiv-2024-z5jnt)
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)