Atomic layer deposition (ALD) plays a key role in the formation of high control thin films. A two-step self-limiting process is used for producing high purity SiO2 films. Without a catalyst SiO2 deposition is very slow. Known catalysts for SiO2 deposition are NR3-type compounds which lower the deposition temperature and increase film quality. Binding the catalyst to the precursor helps control the surface orientation and enhances the reaction rates. This work focuses on characterizing deposition using (NMe2)x-Si-(OMe)4-x type catalytic precursors. Surface coordinated geometries are complex for SiO2 due to the large number of DoF which can obscure true minima. Ab initio molecular dynamics (AIMD) and direct dynamics (DD) were used to probe the surface geometries at temperatures of interest for minimization. The gas phase geometries were treated with nudged elastic band (NEB) methods to search the transition state space.