Structural, Energetic, Electronic, and Vibrational Properties of Boron-Substituted Tungsten Clusters

Akshata M. Waghmare, Gautam S. Kamat, Sajeev S. Chacko +2

We report a study of the density functional theory of the structural, electronic and vibrational properties of small tungsten-boron clusters using the B3LYP exchange-correlation fu…