Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited-State Proton Transfer of 4-Hydroxyacridine
- Basile F. E. Curchod
- T.J. Penfold
- et al.
- 2015
- ChemPhysChem
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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11 results at ChemPhysChem
Modeling the impact of solid surfaces in thermal degradation processes
- Christian Tuma
- Teodoro Laino
- et al.
- 2012
- ChemPhysChem
The role of symmetry in single-molecule junctions
- Emanuel Lörtscher
- 2011
- ChemPhysChem
Influence of the anchor group on charge transport through single-molecule junctions
- Emanuel Lörtscher
- Clara J. Cho
- et al.
- 2011
- ChemPhysChem
Charge transport through molecular rods with reduced π-conjugation
- Emanuel Lörtscher
- Mark Elbing
- et al.
- 2008
- ChemPhysChem
Molecular aggregation within self-ordered monolayers
- Leo Gross
- Karl-Heinz Rieder
- et al.
- 2007
- ChemPhysChem
Reply to comment on "disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculations"
- Carlo A. Pignedoli
- Alessandro Curioni
- et al.
- 2006
- ChemPhysChem
Car-Parrinello molecular dynamics on massively parallel computers
- Jürg Hutter
- Alessandro Curioni
- 2005
- ChemPhysChem
Disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculations
- Carlo A. Pignedoli
- Alessandro Curioni
- et al.
- 2005
- ChemPhysChem
Efficient evaluation of nonlocal pseudopotentials via euler exponential spline interpolation
- Hee-Seung Lee
- Mark E. Tuckerman
- et al.
- 2005
- ChemPhysChem