A research team has identified the synthesis principle of eco-friendly ternary quantum dots that are harmless to the human ...

Once considered merely insulating, a change in the angle between silicon and oxygen atoms opens a pathway for electrical ...

Intramolecular proton transfer-induced photo-rearrangement in diarylethenes. Chinese Chemical Society. Journal CCS Chemistry DOI 10.31635/ccschem.025.202405382 ...

Gomes has been studying the relationship between molecular structure and reactivity for the past decade with particular focus on the development and applications of stereoelectronic effects. His ...

Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For ...

Apart from scripts for importing/exporting .xyz and .gro trajectory files, the atom scripts can read and write basic .pdb or .xyz and GROMACS .gro structure files as well as output basic .itp and .psf ...

The carbon atom also forms a double bond with an oxygen atom, forming a molecular structure called a carbonyl group. This carbonyl oxygen has a pair of electrons that don’t form bonds with any other ...

Bond Angles: The bond angles in benzene are 120 degrees, which is characteristic of sp2 hybridization in carbon atoms. This hybridization involves the mixing of one s orbital and two p orbitals to ...

If you're looking to buy an affordable monitor or TV for gaming or watching content, there's one question you need to ask yourself: Should you buy IPS or VA?

Molecular geometry modeling is a powerful tool for understanding the intricate relationships between molecular structure and biological activity – a field known as structure-activity relationships ...

Calculating dipole moments is essential to understanding molecular behavior in various contexts – from chemical reactions to intermolecular forces. Practice with different molecules and consider ...

bond lengths are slightly longer than the experimental values and the bond angles are slightly different from the experimental ones, because the molecular states are different in the experimental and ...