Navigation auf uzh.ch
Suche
Navigation öffnen/schliessen
Graduate School of Chemical and Molecular Sciences Zurich
Quicklinks und Sprachwechsel
Home
Contact
Search
Main navigation
Research
Zurück
Research
Research
Menü schliessen
Open PhD Theses
Zurück
Open PhD Theses
Open PhD Theses
Menü schliessen
Application
Zurück
Application
Application
Menü schliessen
Information for Members of CMSZH
Zurück
Information for Members of CMSZH
Information for Members of CMSZH
Menü schliessen
Agenda / Courses / Events
Zurück
Agenda / Courses / Events
Agenda / Courses / Events
Menü schliessen
Travel Award 2024
Zurück
Travel Award 2024
Travel Award 2024
Menü schliessen
Travel Award Winners
Zurück
Travel Award Winners
Travel Award Winners
Menü schliessen
Our Sponsors
Zurück
Our Sponsors
Our Sponsors
Menü schliessen
About us
Zurück
About us
About us
Menü schliessen
More
Menü schliessen
Home
Research
Our Research Fields
Marcella Iannuzzi
Publications
Publications
ZORA Publication List
Download Options
Format
for Download-Link
CSV
EndNote
BibTeX
XML
Download as
CSV
Download as
EndNote
Download as
BibTeX
Download as
XML
Publications
Ma, H; Brugger, T; Berner, S; Ding, Y; Iannuzzi, M; Hutter, J; Osterwalder, J; Greber, T (2010).
Nano-ice on boron nitride nanomesh: accessing proton disorder.
ChemPhysChem, 11(2):399-403.
Santarossa, G; Vargas, A; Iannuzzi, M; Baiker, A (2010).
Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained by ab initio metadynamics.
Physical Review B, 81(17):174205.
Vargas, A; Santarossa, G; Iannuzzi, M; Baiker, A (2009).
Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics.
Physical Review. B, Condensed Matter and Materials Physics, 80(19):195421.
Weber, V; Iannuzzi, M; Giani, S; Hutter, J; Declerck, R; Waroquier, M (2009).
Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method.
Journal of Chemical Physics, 131(1):014106.
Santarossa, Gianluca; Vargas, Angelo; Iannuzzi, Marcella; Pignedoli, Carlo A; Passerone, Daniele; Baiker, Alfons (2008).
Modeling bulk and surface Pt using the “Gaussian and plane wave” density functional theory formalism: Validation and comparison to k-point plane wave calculations.
Journal of Chemical Physics, 129(23):234703.
Rodríguez-Fortea, Antonio; Iannuzzi, Marcella (2008).
First-Principles Molecular Dynamics Study of the Heterogeneous Reduction of NO2 on Soot Surfaces.
Journal of Physical Chemistry C, 112(49):19642-19648.
Iannuzzi, Marcella (2008).
X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculations.
Journal of Chemical Physics, 128(20):204506.
Vargas, Angelo; Santarossa, Gianluca; Iannuzzi, Marcella; Baiker, Alfons (2008).
Chiral Recognition on Catalytic Surfaces: Theoretical Insight in a Biomimetic Heterogeneous Catalytic System.
Journal of Physical Chemistry C, 112(27):10200-10208.
Iannuzzi, M; Hutter, J (2007).
Inner-shell spectroscopy by the Gaussian and augmented plane wave method.
Physical Chemistry Chemical Physics (PCCP), 9(13):1599-1610.
Rodríguez-Fortea, Antonio; Iannuzzi, Marcella; Parrinello, Michele (2007).
Ab Initio Molecular Dynamics Study of Heterogeneous Nitric Acid Decomposition Reactions on Graphite Surfaces.
Journal of Physical Chemistry C, 111(5):2251-2258.
Urakawa, A; Iannuzzi, M; Hutter, J; Baiker, A (2007).
Towards a rational design of ruthenium CO2 hydrogenation catalysts by Ab initio metadynamics.
Chemistry - A European Journal, 13(24):6828-6840.
Iannuzzi, M (2006).
Proton transfer in imidazole-based molecular crystals.
Journal of Chemical Physics, 124(20):204710.
Park, Jung Mee; Laio, Alessandro; Iannuzzi, Marcella; Parrinello, Michele (2006).
Dissociation Mechanism of Acetic Acid in Water.
Journal of the American Chemical Society, 128(35):11318-11319.
Rodríguez-Fortea, Antonio; Iannuzzi, Marcella; Parrinello, Michele (2006).
Ab Initio Molecular Dynamics Study of Heterogeneous Oxidation of Graphite by Means of Gas-Phase Nitric Acid.
Journal of Physical Chemistry B, 110(8):3477-3484.
Pagliai, M; Iannuzzi, M; Cardini, G; Parrinello, M; Schettino, V (2006).
Lithium hydroxide phase transition under high pressure: an ab initio molecular dynamics study.
ChemPhysChem, 7(1):141-147.
Iannuzzi, M; Kirchner, B; Hutter, J (2006).
Density functional embedding for molecular systems.
Chemical Physics Letters, 421(1-3):16-20.
Stirling, A; Iannuzzi, M; Parrinello, M; Molnar, F; Bernhart, V; Luinstra, G A (2005).
β-Lactone synthesis from epoxide and CO: reaction mechanism revisited.
Organometallics, 24(10):2533-2537.
Hutter, J; Iannuzzi, M (2005).
CPMD: Car-Parrinello molecular dynamics.
Zeitschrift für Kristallographie, 220(5/6/20):549-551.
Iannuzzi, Marcella; Chassaing, Thomas; Wallman, Thomas; Hutter, Jürg (2005).
Ground and excited state density functional calculations with the Gaussian and augmented-plane-wave method.
CHIMIA International Journal for Chemistry, 59(7):499-503.
Churakov, Sergey V; Iannuzzi, Marchella; Parrinello, Michele (2004).
Ab Initio Study of Dehydroxylation−Carbonation Reaction on Brucite Surface.
Journal of Physical Chemistry B, 108(31):11567-11574.
Pagination
Vorherige Seite
6
von
7
Nächste Seite
Bild-Overlay schliessen
Video-Overlay schliessen
[%=content%]
[%=content%]
[%=content%]
back
Übersichtsseite
[%=text%]
[%=content%]
Menü schliessen
[%=text%]
back
[%=text%]
[%=content%]