Quantum Mechanical Prediction of the Existence of Rare Gas-bound Species Katheryn Shi 1, Brent Wilson 2, Angela K. Wilson 3 1 TAMS, University of North.
Method comparison against exp. data
Quantum Mechanical Study of MRI Ligands
Computational and Experimental Structural Studies of Selected Chromium(0) Monocarbene Complexes
First-principles calculations of diffusion coefficients in magnetic systems: Ni, Cr, and Ni-X alloys
