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- Currently displaying 41 - 60 of 27877 publications
CREST-A program for the exploration of low-energy molecular chemical space.
– J Chem Phys
(2024)
160,
114110
(doi: 10.1063/5.0197592)
The thermodynamics of neurodegenerative disease.
– Biophys Rev (Melville)
(2024)
5,
011303
(doi: 10.1063/5.0180899)
From covalent transition states in chemistry to noncovalent in biology: from β- to Φ-value analysis of protein folding.
– Q Rev Biophys
(2024)
57,
e4
(doi: 10.1017/S0033583523000045)
Design of amyloidogenic peptide traps
– Nature Chemical Biology
(2024)
1
(doi: 10.1038/s41589-024-01578-5)
Extension, development, and evaluation of the representation of the OH-initiated dimethyl sulfide (DMS) oxidation mechanism in the Master Chemical Mechanism (MCM) v3.3.1 framework
– Atmospheric Chemistry and Physics
(2024)
24,
3329
(doi: 10.5194/acp-24-3329-2024)
Extension, Development and Evaluation of the representation of the OH-initiated DMS oxidation mechanism in the MCM v3.3.1 framework
– Atmospheric Chemistry and Physics (ACP)
(2024)
(doi: 10.5194/acp-24-3329-2024)
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)
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
– J Am Chem Soc
(2024)
146,
9045
(doi: 10.1021/jacs.3c14037)
Suppressing cis/trans ‘Ring‐flipping’ in Organoaluminium(III)‐2‐pyridyl Dimers – Design Strategies Towards Lewis Acid Catalysts for Alkene Oligomerisation
– Chemistry – A European Journal
(2024)
e202303872
(doi: 10.1002/chem.202303872)
Insights into charge transfer dynamics of Li batteries through temperature-dependent electrochemical impedance spectroscopy (EIS) utilizing symmetric cell configuration
– Electrochimica Acta
(2024)
485,
144080
Electrostatic [FeFe]-hydrogenase-carbon nitride assemblies for efficient solar hydrogen production.
– Chemical science
(2024)
15,
6088
(doi: 10.1039/d4sc00640b)
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)
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)
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)