Annual Report 2011 - CSCS

36
M. Bieri, S. Blankenburg, M. Kivala, C. A. Pignedoli, P. Ruffieux, et
al., Surface-supported 2D heterotriangulene polymers, Chemical
Communications, DOI: 10.1039/c1cc12490k.
G. Di Santo, S. Blankenburg, C. Castellarin-Cudia, M. Fanetti,
P. Borghetti, et al., Supramolecular Engineering through
Temperature-Induced Chemical Modification of 2H-Tetraphenylporphyrin
on Ag(111): Flat Phenyl Conformation and Possible
Dehydrogenation Reactions, Chemistry - A European
Journal, DOI: 10.1002/chem.201102268.
C. Roth, D. Passerone, L. Merz, M. Parschau, K.-H. Ernst, Two-
Dimensional Self-Assembly of Chiral Malic Acid on Cu(110),
Journal of Physical Chemistry C, DOI: 10.1021/jp106575g.
M. Treier, C. A. Pignedoli, T. Laino, R. Rieger, K. Müllen, et al.,
Surface-assisted cyclodehydrogenation provides a synthetic
route towards easily processable and chemically tailored nanographenes,
Nature Chemistry, DOI: 10.1038/nchem.891.
M.-T. Nguyen, C. A. Pignedoli, D. Passerone, An ab initio insight
into the Cu(111)-mediated Ullmann reaction, Physical Chemistry
Chemical Physics, DOI: 10.1039/c0cp00759e.
R. Gaspari, S. Blankenburg, C. A. Pignedoli, P. Ruffieux, M. Treier,
et al., s-orbital continuum model accounting for the tip shape
in simulated scanning tunneling microscope images, Physical
Review B, DOI: 10.1103/PhysRevB.84.125417.
Paul Scherrer Institute
S. V. Churakov, T. Gimmi, Up-scaling of molecular diffusion coefficients
in clays: A two-step approach, Journal of Physical Chemistry
C, DOI: 10.1021/jp112325n.
S. Aksoyoglu, J. Keller, I. Barmpadimos, D. Oderbolz, V. A. Lanz,
et al., Aerosol modelling in Europe with a focus on Switzerland
during summer and winter episodes, Atmospheric Chemistry
and Physics, DOI: 10.5194/acp-11-7355-2011.
Y. Sato, B. Ničeno, A conservative local interface sharpening
scheme for the constrained interpolation profile method,
International Journal for Numerical Methods in Fluids, DOI:
10.1002/fld.2695.
A. Idhil, C. N. Borca, A.-C. Uldry, N. Zema, S. Turchini, et al., The
influence of Cr-composition on the local magnetic structure
of FeCr alloys, Nuclear Instruments and Methods in Physics
Research Section B: Beam Interactions with Materials and
Atoms, DOI: 10.1016/j.nimb.2011.08.071.
Alfio Quarteroni, EPF Lausanne
P. Crosetto, P. Reymond, S. Deparis, D. Kontaxakis, N. Stergiopulos,
et al., Fluid–structure interaction simulation of aortic
blood flow, Computers & Fluids, DOI: 10.1016/j.compfluid.
2010.11.032.
P. Crosetto, S. Deparis, G. Fourestey, A. Quarteroni, Parallel Algorithms
for Fluid-Structure Interaction Problems in Haemodynamics,
SIAM Journal on Scientific Computing, DOI:
10.1137/090772836.
Christoph Raible, University of Bern
C. C. Raible, S. Kleppek, M. Wüest, A. Kitoh, H. Murakami, T. F.
Stocker, et al., Atlantic Hurricanes and Associated Insurance
Loss Potentials in Future Climate Scenarios, Tellus A, DOI:
10.3402/tellusa.v64i0.15672
D. Hofer, C. C. Raible, T. F. Stocker, Variation of the Atlantic meridional
overturning circulation in control and transient simulations
of the last millennium, Climate of the Past, DOI: 10.5194/
cp-7-133-2011.
U. Büntgen, C. C. Raible, D. Frank, S. Helama, L. Cunningham, et
al., Causes and Consequences of Past and Projected Scandinavian
Summer Temperatures, 500–2100 AD, PLOS ONE, DOI:
10.1371/journal.pone.0025133.
T. Buehler, C. C. Raible, T. F. Stocker, The relationship of winter
season North Atlantic blocking frequencies to extreme
cold or dry spells in the ERA-40, Tellus A, DOI: 10.1111/j.1600-
0870.2010.00492.x.
Ursula Röthlisbeger, EPF Lausanne
N. S. Nagornova, M. Guglielmi, M. Doemer, I. Tavernelli, U.
Rothlisberger, et al., Cold-Ion Spectroscopy Reveals the Intrinsic
Structure of a Decapeptide, Angewandte Chemie International
Edition, DOI: 10.1002/anie.201100702.
I. Tavernelli, B. F. E. Curchod, U. Rothlisberger, Nonadiabatic molecular
dynamics with solvent effects: A LR-TDDFT QM/MM study
of ruthenium (II) tris (bipyridine) in water, Chemical Physics,
DOI: 10.1016/j.chemphys.2011.03.021.