69 citations · 139 across the 4 of their papers we have counts for
4 papers
Reaction blockading in charged-neutral excited-state chemistry at low collision energy
Prateek Puri, Michael Mills, Ionel Simbotin +5
We study an excited atom-polar molecular ion chemical reaction (Ca + BaCl) at low temperature by utilizing a hybrid atom-ion trapping system. The reaction rate and product…
Synthesis of mixed hypermetallic oxide BaOCa from laser-cooled reagents in an atom-ion hybrid trap
Prateek Puri, Michael Mills, Christian Schneider +5
Hypermetallic alkaline earth (M) oxides of formula MOM have been studied under plasma conditions that preclude insight into their formation mechanism. We present here the applicati…
Computationally efficient double hybrid density functional theory using dual basis methods
Jason N. Byrd, John A. Montgomery
We examine the application of the recently developed dual basis methods of Head-Gordon and co-workers to double hybrid density functional computations. Using the B2-PLYP, B2GP-PLYP…
A QM/MM approach for the study of monolayer-protected gold clusters
Sandipan Banerjee, John A. Montgomery, José A. Gascón
We report the development and implementation of hybrid methods that combine quantum mechanics (QM) with molecular mechanics (MM) to theoretically characterize thiolated gold cluste…