Sub‐thick electrodes with enhanced transport kinetics via in situ epitaxial heterogeneous interfaces for high areal‐capacity lithium ion batteries

S Zhou, P Huang, T **ong, F Yang, H Yang, Y Huang… - Small, 2021 - Wiley Online Library
The ever‐growing portable electronics and electric vehicle draws the attention of scaling up
of energy storage systems with high areal‐capacity. The concept of thick electrode designs …

Synthesis, spectroscopic investigations, topological non-covalent interactions, chemical reactivity, molecular docking and molecular dynamic simulation on piperazine …

VSJ Reeda, P Divya, R Suja, A Rathika… - Journal of Molecular …, 2023 - Elsevier
Piperazine Succinate (PZSN) has been synthesized and extensively analyzed using various
spectroscopic techniques, including FT-IR, FT-Raman and NMR spectra. In optimizing …

[HTML][HTML] Theoretical insight into the interaction between chloramphenicol and functional monomer (methacrylic acid) in molecularly imprinted polymers

L **e, N **ao, L Li, X **e, Y Li - International Journal of Molecular …, 2020 - mdpi.com
Molecular imprinting technology is a promising method for detecting chloramphenicol (CAP),
a broad-spectrum antibiotic with potential toxicity to humans, in animal-derived foods. This …

Designing the electron push-pull chromophores through the joining of triphenylamine and triphenylborane for efficient nonlinear optical and photovoltaic properties

S Muhammad, A Khalid, S Bibi, S Riaz, SS Alarfaji… - Optical Materials, 2024 - Elsevier
The benzoxadiazole class of organic compounds demonstrates exceptional versatility,
particularly in the realm of nonlinear optical (NLO) materials, where their unique properties …

Density functional theory study on the ionic liquid pyridinium hydrogen sulfate

I Tankov, R Yankova, S Genieva, M Mitkova… - Journal of Molecular …, 2017 - Elsevier
The geometry, electronic structure and chemical reactivity of a pyridinium-based ionic liquid,
pyridinium hydrogen sulfate ([H–Pyr]+[HSO 4]−), have been discussed on the basis of …

Chalcogenides encapsulated Pt-doped carbon quantum dot (Pt@ CQD) as a carrier for the controlled release of lapachone: outlook from theoretical calculations

GA Okon, DG Malu, HY Abdullah, CR Nwokoye… - Diamond and Related …, 2024 - Elsevier
While cancer remains a significant health concern for humans, and is a serious and life-
threatening disease, this research introduces an innovative drug delivery strategy employing …

A new hybrid structure based Pyranoquinoline-Pyridine derivative: synthesis, optical properties, theoretical analysis, and photodiode applications

SA Halim, AS Badran, N Roushdy, EM Ahmed… - Journal of Molecular …, 2023 - Elsevier
Abstract The novel 6-ethyl-3-{[(3-cyano-4, 6-dimethyl-2-oxo-1, 2-dihydropyridin-1-yl) imino]
methyl}-4H-pyrano [3, 2-c] quinoline-4, 5 (6H)‑dione (EPIMPQ) was obtained by reacting …

X-ray diffraction, structural analysis, quantum reactivity studies, molecular interactions, spectroscopic insights and antiepileptic activities of [Cu (C7N4H8O2) 2 (NO3) …

W Nbili, RA Timothy, GI Abubakar, H Louis… - Journal of Molecular …, 2024 - Elsevier
Epilepsy is a neurological disorder which is attributed to unprovoked recurrent seizures. It is
a dangerous disease that affects men, women and children of all ages. This present …

DFT computational insights into structural, electronic and spectroscopic parameters of 2-(2-Hydrazineyl) thiazole derivatives: a concise theoretical and experimental …

VA Adole, TB Pawar, BS Jagdale - Journal of Sulfur Chemistry, 2021 - Taylor & Francis
It has been uncovered that compounds containing thiazole moiety display noteworthy
biological properties, which have attracted the attention of many researchers in chemical …

Hydroxyphenylamine phosphonate derivatives: Synthesis, X-ray crystallographic analysis, and evaluation of theirs anti-Alzheimer effects and antioxidant activities

S Zaout, S Chafaa, A Hellal, O Boukhemis… - Journal of Molecular …, 2021 - Elsevier
The present study deals with the synthesis and characterization by single-crystal X-ray
analysis, UV-Vis and FT-IR spectroscopy of two new α-aminophosphonates molecules:((2 …