He is considered a pioneer in the field of computational chemistry.

Her history of computational chemistry in Germany is of particular note.

Why is doing computational chemistry and making electronic structure calculations valuable?

He may be regarded as the initiator of modern computational chemistry.

The list also hosts many resources on computational chemistry.

This has become a well-studied problem and is routinely done in computational chemistry.

During the 1970s, computational chemistry adopted many different methods.

Applications of the grid are found in fields such as computational chemistry and transportation theory.

An alternate meaning for the term electron hole is used in computational chemistry.

Computational chemistry looks at both static and dynamic systems.