Aurophilic attraction sculpts hyperchlorinated gold clusters into zigzag chains
A combined mass spectrometry and computational study shows that aurophilic attraction between internal Au(I) centers dictates the zigzag structures of ...
Tag: NBO analysis
Quantum Chemistry Reveals Hidden Power of a Fluorinated Sulfonamide Molecule
A comprehensive DFT study of the fluorinated triazolopyrimidine sulfonamide DTPB reveals strong nonlinear optical performance, stable delocalized electronic structure, and ...
Carboxyl-Coated Nanotubes Grip Tuberculosis Drug Isoniazid, Quantum Study Shows
A new DFT study shows that carboxyl-functionalized single-walled carbon nanotubes bind the tuberculosis drug isoniazid far more strongly than pristine ...
Iron Outperforms Magnesium in Carbon Frameworks That Capture Chemotherapy Drug Residues
A new density functional theory study shows that iron-centered nitrogen-doped carbon coordination frameworks bind the chemotherapy drug 5-fluorouracil far more ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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