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- Currently displaying 1 - 20 of 27767 publications
Azobenzene isomerization on a reactive copper surface by efficient decoupling with bulky side groups
– Surface Science
(2024)
744,
122468
(doi: 10.1016/j.susc.2024.122468)
Insights into charge transfer dynamics of Li batteries through temperature-dependent electrochemical impedance spectroscopy (EIS) utilizing symmetric cell configuration
– Electrochimica Acta
(2024)
485,
144080
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States
– Journal of Chemical Theory and Computation
(2024)
(doi: 10.1021/acs.jctc.3c01378)
Can GW Handle Multireference Systems
– The Journal of Chemical Physics
(2024)
160,
(doi: 10.1063/5.0196561)
Suppression of Dexter transfer by covalent encapsulation for efficient matrix-free narrowband deep blue hyperfluorescent OLEDs
– Nature materials
(2024)
(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)
Analysis of UKESM1-StratTrop CCMI2022 experiments with a focus on ozone trends
(2024)
Estimating the causal effect of temperature on ozone air pollution
(2024)
Uncertainties in tropospheric ozone changes due to natural precursor emissions
(2024)
(doi: 10.5194/egusphere-egu24-4434)
Rationale for the extrapolation procedure in selected configuration interaction.
– J Chem Phys
(2024)
160,
104102
(doi: 10.1063/5.0192458)
Historical sulfate aerosol formation in earth system model with interactive-chemistry: interplay between emission location, seasonality, meteorology and available oxidants
(2024)
(doi: 10.5194/egusphere-egu24-1018)
Ligand-Directed Self-Assembly of Organic-Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion
– Journal of the American Chemical Society
(2024)
(doi: 10.1021/jacs.4c00125)
Uncovering the effect of fires in Jambi, Riau, and South Sumatra on PM2.5 concentration levels in Greater Kuala Lumpur during September 2019 transboundary haze pollution
(2024)
(doi: 10.5194/egusphere-egu24-8954)
PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models
(2024)
(doi: 10.26434/chemrxiv-2024-z5jnt)
MolScore: A scoring and evaluation framework for de novo drug design
(2024)
Susceptibility of hypertensive individuals to acute blood pressure increases in response to personal-level environmental temperature decrease
– Environment International
(2024)
185,
108567
(doi: 10.1016/j.envint.2024.108567)
High-density volumetric super-resolution microscopy
– Nature Communications
(2024)
15,
1940
(doi: 10.1038/s41467-024-45828-5)
High-density volumetric super-resolution microscopy.
– Nature communications
(2024)
15,
1940
(doi: 10.1038/s41467-024-45828-5)
Biomass waste-derived catalysts for biodiesel production: Recent advances and key challenges
– Renewable Energy
(2024)
223,
120031
(doi: 10.1016/j.renene.2024.120031)