computational chemistry

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

The list is widely supported and used by the computational chemistry community.

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

His main area of study centres on computational chemistry.

Scientists call a lot of this work "computational chemistry".

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

The list also hosts many resources on computational chemistry.

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

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

Computational chemistry methods range from highly accurate to very approximate.

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

Finally, they note that few commercial software packages in computational chemistry offer source code to anyone at any price.

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

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

These assignments are gaining increased support with computational chemistry.

He has also contributed to the development of the Gaussian computational chemistry codes.

Computational chemistry looks at both static and dynamic systems.

Almost all basis sets used in computational chemistry now employ these orbitals.

Computational chemistry uses mathematical methods that are well developed.

Several major areas may be distinguished within computational chemistry:

Most of the calculations performed in computational chemistry rely on quantum mechanics.

He was a founder of the Q-Chem computational chemistry program.

Portals for Computational chemistry and agricultural information dissemination are among its focus areas.

Computational chemistry normally complements the information obtained by chemical experiments.

The commercial and scientific benefits of using computational chemistry software in drug design is recognised by the leading pharmaceutical industries.