Molecular structure, NBO analysis of the hydrogen-bonded interactions, spectroscopic (FT-IR, FT-Raman), drug likeness and molecular docking of the novel anti COVID-2 molecule (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]-hydrazinecarbothioamide (Dimer) - quantum chemical approach. [PDF]
Jenepha Mary SJ, Pradhan S, James C.
europepmc +1 more source
CARACTERIZAÇÃO DE GASOLINAS POR ESPECTROSCOPIA FT- RAMAN [PDF]
JOSE FLAVIO MARTINS CRUZ
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Green hydrogen production through a coupled self‐sustaining solar‐enabled system that couples atmospheric water harvesting with PEM water electrolysis (AWH‐PEMWE), offering a novel pathway for clean water generation and green hydrogen production. The system operates without the need for carrier gases or external energy input accessories, enabling a ...
Bo Fu +18 more
wiley +1 more source
FT Raman spectroscopy in the evaluation of biomarkers of normal and pathological placenta tissue. [PDF]
Pielesz A +6 more
europepmc +1 more source
Shiga Toxin and Shiga–Like Toxin (SLT) Time-Resolved Absorption and Resonance FT–IR and Raman Biospectroscopy and Density Functional Theory (DFT) Investigation of Vibronic–Mode Coupling Structure in Vibrational Spectra Analysis [PDF]
Alireza Heidari
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Promoting Electrochemical Reactions with Dual‐Atom Catalysts for High‐Rate Lithium–Sulfur Batteries
A scalable strategy for synthesizing transition metal–bismuth atomic pairs on carbon nitride to accelerate sulfur redox reactions in lithium–sulfur batteries is presented. Nickel‐bismuth and cobatl‐bismuth catalysts improve rate performance by promoting direct electrochemical transitions and rapid Li2S nucleation, minimizing sulfur loss, and enhancing ...
Jing Yu +19 more
wiley +1 more source

