Revisiting fluorescent calixarenes: from molecular sensors to smart materials
Calix [n] arenes (n= 4, 5, 6, 8) are “chalicelike” phenol-based macrocycles that are among
the most fascinating and highly studied scaffolds in supramolecular chemistry. This stems …
the most fascinating and highly studied scaffolds in supramolecular chemistry. This stems …
Boosting rechargeable batteries R&D by multiscale modeling: myth or reality?
This review addresses concepts, approaches, tools, and outcomes of multiscale modeling
used to design and optimize the current and next generation rechargeable battery cells …
used to design and optimize the current and next generation rechargeable battery cells …
Solvent-free synthesis and corrosion inhibition performance of Ethyl 2-(1, 2, 3, 6-tetrahydro-6-oxo-2-thioxopyrimidin-4-yl) ethanoate on carbon steel in pickling acids …
HM Abd El-Lateef, ZA Abdallah, MSM Ahmed - Journal of Molecular Liquids, 2019 - Elsevier
Abstract Ethyl 2-(1, 2, 3, 6-tetrahydro-6-oxo-2-thioxopyrimidin-4-yl) ethanoate (EOTPE) was
synthesized by a facile and cost-effective method. The structure confirmation of the …
synthesized by a facile and cost-effective method. The structure confirmation of the …
[HTML][HTML] Designing indacenodithiophene based non-fullerene acceptors with a donor–acceptor combined bridge for organic solar cells
Non-fullerene small acceptor molecules have gained significant attention for application in
organic solar cells owing to their advantages over fullerene based acceptors. Efforts are …
organic solar cells owing to their advantages over fullerene based acceptors. Efforts are …
Sustainable separators for high‐performance lithium ion batteries enabled by chemical modifications
TW Zhang, JL Chen, T Tian, B Shen… - Advanced Functional …, 2019 - Wiley Online Library
Natural polymer nanofibers are attractive sustainable raw materials to fabricate separators
for high‐performance lithium ion batteries (LIBs). Unfortunately, complicated pore‐forming …
for high‐performance lithium ion batteries (LIBs). Unfortunately, complicated pore‐forming …
Effect of solution's pH and molecular structure of three linear α-amino acids on the corrosion of tin in salt solution: A combined experimental and theoretical approach
B El Ibrahimi, A Jmiai, K El Mouaden… - Journal of Molecular …, 2019 - Elsevier
The action of solution's pH on the inhibition property of three linear α-amino acids, namely
Glycine (Gly), Valine (Val) and Leucine (Leu), was examined against tin corrosion in 2 wt …
Glycine (Gly), Valine (Val) and Leucine (Leu), was examined against tin corrosion in 2 wt …
[HTML][HTML] Anticorrosive properties of Hexa (3-methoxy propan-1, 2-diol) cyclotri-phosphazene compound for carbon steel in 3% NaCl medium: gravimetric …
The corrosion inhibition performance of Hexa (3-methoxy propan-1, 2 diol)
cyclotriphosphazene (HMC) on carbon steel in 3% NaCl solution was investigated by weight …
cyclotriphosphazene (HMC) on carbon steel in 3% NaCl solution was investigated by weight …
[HTML][HTML] DFT and molecular docking investigations of oxicam derivatives
The organic molecule tenoxicam and similar derivatives, piroxicam and isoxicam have been
studied by quantum chemical theory (DFT), FT-Raman and FT-IR. By FMOs energies the …
studied by quantum chemical theory (DFT), FT-Raman and FT-IR. By FMOs energies the …
Ultrafast 1H MAS NMR Crystallography for Natural Abundance Pharmaceutical Compounds
Magic angle spinning (MAS) NMR is a powerful method for the study of pharmaceutical
compounds, and probes with spinning frequencies above 100 kHz enable an atomic …
compounds, and probes with spinning frequencies above 100 kHz enable an atomic …
[HTML][HTML] Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1, 1-dimethyl-3-phenylurea
Dimethyl-3-phenylurea (known as fenuron) which is a phenyl urea-based widely used
herbicide exhibits interesting structural and conformational properties and a notable …
herbicide exhibits interesting structural and conformational properties and a notable …