Research Articles
The Digital Alchemist: How Computers Are Designing Next-Gen Superalloys
Exploring how density functional theory is revolutionizing the design of nickel-based superalloys for aerospace and energy applications.
Unveiling a Tiny Molecular Universe: How Scientists Decode Drug Molecules
Explore how scientists use spectroscopy and quantum mechanics to decode the molecular structure of 5MBIT, a precursor to the anti-ulcer drug omeprazole.
Decoding Molecules: How Computational Chemistry Reveals Secrets of a Promising Compound
Explore how computational chemistry methods like DFT and ab initio calculations reveal molecular secrets of 2-chloro-5-bromopyridine through spectroscopic studies and normal coordinate analysis.
Seeing Molecules in HD: How Scientists Are Unlocking Nature's Chemical Secrets
Explore how theoretical and experimental methods reveal the molecular secrets of 7-Acetoxy-4-(bromomethyl)coumarin