Publications

11 results at ChemPhysChem

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
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
Efficient evaluation of nonlocal pseudopotentials via euler exponential spline interpolation
- - Hee-Seung Lee
  - Mark E. Tuckerman
  - et al.
- 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
Car-Parrinello molecular dynamics on massively parallel computers
- - Jürg Hutter
  - Alessandro Curioni
- 2005
- ChemPhysChem