Contains the keyword molecular-mechanics
Using a Reactive Force Field To Correlate Mobilities Obtained from Solid-State (13)C NMR on Mesoporous Silica Nanoparticle Systems. J Phys Chem C. 2011;115:16333-9. Abstract
Binding and Diffusion of Al Adatoms and Dimers on the Si(100)-2 x 1 Reconstructed Surface: A Hybrid QM/MM Embedded Cluster Study. Journal of Physical Chemistry C. 2009;113:7277-89. Abstract
