1 citations · 1 across the 1 of their papers we have counts for
2 papers
physics.bio-ph2003★ 1 cited
Molecular Mechanism for Nitrogen fixation: first steps
Johannes Schimpl, Helena M. Petrilli, Peter E. Bloechl
N2 association to the FeMo-cofactor of nitrogenase, including the recently identified central N ligand, has been investigated using first-principles electronic structure calculatio…
cond-mat.mtrl-sci2002
The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions
Peter E. Blöchl, Clemens J. Först, Johannes Schimpl
A brief introduction to the projector augmented wave method is given and recent developments are reviewed. The projector augmented wave method is an all-electron method for efficie…