635 citations · 2k across the 22 of their papers we have counts for
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physics.chem-ph2003★ 168 cited
From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia
A. Daniel Boese, Amalendu Chandra, Jan M. L. Martin +1
The ammonia dimer (NH3)2 has been investigated using high--level ab initio quantum chemistry methods and density functional theory (DFT). The structure and energetics of important…
cond-mat.mtrl-sci2003★ 93 cited
Density-functional study of Cu atoms, monolayers, and coadsorbates on polar ZnO surfaces
B. Meyer, D. Marx
The structure and electronic properties of single Cu atoms, copper monolayers and thin copper films on the polar oxygen and zinc terminated surfaces of ZnO are studied using period…