Bond length is one important parameter for a molecule ... The frontier molecular orbitals include the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO). Long ...
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4c03058. Computational details, calculated energies, energy analysis, spin populations, partial atomic charges, molecular dipole moments, and Cartesian coordinates of the optimized structures (PDF) ...
A team from Jiuhua Laboratory in China has developed a novel "Electronic Structure-Infused Network (ESIN)" model that accurately predicts the photoluminescence quantum yield (PLQY) of organic ...
A research team led by Professor Sun Qing-Feng in collaboration with Professor He Lin's research group from Beijing Normal ...
With 37 days left for NEET UG 2025, students must focus on Chemistry. Understanding the syllabus, practicing reactions, and ...
A research team led by Professor Sun Qing-Feng in colloboration with Professor He Lin’s research group from Beijing Normal University has achieved orbital hybridization in graphene-based artificial ...
For decades, researchers have explored how electrons behave in quantum materials. Under certain conditions, electrons ...
Scientists have unveiled an innovative approach for synthesizing azaparacyclophanes (APCs), a class of highly advanced ring-shaped molecular structures with immense potential in material science.