Rossi group

Publications

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  • Currently displaying 161 - 174 of 174 publications
Author(s)
Publication title
Journal Name
Publication year
Role of methyl-induced polarization in ion binding
M Rossi, A Tkatchenko, SB Rempe, S Varma
Proceedings of the National Academy of Sciences
(2013)
110
(doi: 10.1073/pnas.1302757110)
Isomer-selective detection of hydrogen-bond vibrations in the protonated water hexamer.
N Heine, MR Fagiani, M Rossi, T Wende, G Berden, V Blum, KR Asmis
Journal of the American Chemical Society
(2013)
135
(doi: 10.1021/ja401359t)
Impact of Vibrational Entropy on the Stability of Unsolvated Peptide Helices with Increasing Length
M Rossi, M Scheffler, V Blum
The Journal of Physical Chemistry B
(2013)
117
(doi: 10.1021/jp402087e)
Benchmarking the Water-Peptide Interaction
M Rossi, S Chutia, V Blum
Biophysical Journal
(2013)
104
(doi: 10.1016/j.bpj.2012.11.414)
How a Simple Sequence Change Induces Antipodal Folding Characteristics: Ac-Ala19-Lys + H+ Vs. Ac-Lys-Ala19 + H+
F Schubert, M Rossi, C Baldauf, V Blum, M Scheffler
Biophysical Journal
(2013)
104
(doi: 10.1016/j.bpj.2012.11.343)
Water Adsorption at Two Unsolvated Peptides with a Protonated Lysine Residue: From Self-Solvation to Solvation
S Chutia, M Rossi, V Blum
J Phys Chem B
(2012)
116
(doi: 10.1021/jp3098268)
Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length
M Rossi, V Blum, M Scheffler
(2012)
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals
N Marom, A Tkatchenko, M Rossi, VV Gobre, O Hod, M Scheffler, L Kronik
J Chem Theory Comput
(2011)
7
(doi: 10.1021/ct2005616)
Unraveling the Stability of Polypeptide Helices: Critical Role of van der Waals Interactions
A Tkatchenko, M Rossi, V Blum, J Ireta, M Scheffler
Physical review letters
(2011)
106
(doi: 10.1103/physrevlett.106.118102)
Secondary Structure of Ac-Alan-LysH+ Polyalanine Peptides (n=5, 10, 15) in Vacuo: Helical or Not?
M Rossi, V Blum, P Kupser, G von Helden, F Bierau, K Pagel, G Meijer, M Scheffler
The Journal of Physical Chemistry Letters
(2010)
1
(doi: 10.1021/jz101394u)
Realistic calculations of carbon-based disordered systems
AR Rocha, M Rossi, AJR da Silva, A Fazzio
Journal of Physics D: Applied Physics
(2010)
43
(doi: 10.1088/0022-3727/43/37/374002)
Secondary structure of Ac-Ala$_n$-LysH$^+$ polyalanine peptides ($n$=5,10,15) in vacuo: Helical or not?
M Rossi, V Blum, P Kupser, GV Helden, F Bierau, K Pagel, G Meijer, M Scheffler
(2010)
Designing Real Nanotube-Based Gas Sensors
AR Rocha, M Rossi, A Fazzio, AJR da Silva
Physical review letters
(2008)
100
(doi: 10.1103/physrevlett.100.176803)
Theoretical study of N-complexes in carbon nanotubes
M Rossi, A Fazzio, AJRD Silva
(2007)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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