"SOMETIMES IT SEEMS to me that a bond between two atoms has become so real, so tangible, so friendly, that I can almost see it. Then I awake with a little shock, for a chemical bond is not a real ...

“In this work, a comprehensive study on crystal structure and chemical bonding properties of CrB 2 was conducted using a combinatorial of theoretical calculations and experimental validations.

The electronic charge density distribution or the electrostatic atomic potential of a solid or molecule contains information not only on the atomic structure, but also on the electronic properties, ...

Chemical bonding “is the heart of chemistry,” according to Alexander I. Boldyrev, a chemistry professor at Utah State University who spends his time thinking about how molecules are put together. “But ...

Because bond order is a chemical concept, and not an observable in the quantum mechanical sense, there does not exist a unique definition of bond multiplicity in quantum chemistry. Thus, it is ...