Synthesis, X-Ray Analysis, Anticancer Activity, Computational, and in Silico Studies of New Thiophene Pyrazole Conjugates. [PDF]
Muhsinah AB +3 more
europepmc +1 more source
This review provides a bottom‐up evaluation of sodium‐ion battery safety, linking material degradation mechanisms, cell engineering parameters, and module/pack assembly. It emphasizes that understanding intrinsic material stability and establishing coordinated engineering control across hierarchical levels are vital for preventing degradation coupling ...
Won‐Gwang Lim +5 more
wiley +1 more source
Toxicological investigation of mycotoxin contaminants and antibiotic residues associated with the poultry industry and their impact on human health. [PDF]
Akter J +6 more
europepmc +1 more source
The molecular design strategy that integrates both side chain and backbone engineering in diketopyrrolopyrrole‐based conjugated polymers to identify the optimal balance between doping efficiency and microstructural order is demonstrated. Comprehensive spectroscopic, electrochemical, morphological, and structural characterizations reveal that the ...
Taewoong Han +13 more
wiley +1 more source
DFT insights into the photovoltaic performance of A-π-A non-fullerene acceptors for organic solar cells. [PDF]
Khan M +7 more
europepmc +1 more source
Theoretical insights of silicene doped with transition metals as C - reactive protein biosensors for cardiac vascular applications using density functional theory. [PDF]
Devi P K +4 more
europepmc +1 more source
HOMO-LUMO gaps of armchair carbon nanotubes with Stone-Wales defect
openaire +1 more source
Volumetric, acoustic, and computational investigation of l-threonine and glycyl-l-threonine interactions in aqueous 1-octyl-3-methylimidazolium bromide solutions. [PDF]
Sharma R +3 more
europepmc +1 more source
Quantum Chemical Properties of Fluorouracil/XZn<sub>11</sub>O<sub>12</sub> (X = Zn, Cu, Fe, Ni) Nanocomplexes and Interactions with Human Serum Albumin. [PDF]
Kshetri MB +4 more
europepmc +1 more source
Which <i>ab initio</i> calculation methods describe the charge transfer in ionic liquid vapors? Case study on EMIM-OTF reveals the frontier orbitals and the ionization threshold. [PDF]
Kuusik I, Kivimäki A, Kisand V.
europepmc +1 more source

