Rossi group

Publications

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  • Currently displaying 101 - 120 of 164 publications
Author(s)
Publication title
Journal Name
Publication year
The Conformational Space of a Flexible Amino Acid at Metallic Surfaces
D Maksimov, C Baldauf, M Rossi
(2020)
Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface
M Jacobs, J Krumland, AM Valencia, H Wang, M Rossi, C Cocchi
Advances in Physics: X
(2020)
5
(doi: 10.1080/23746149.2020.1749883)
Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory
SM Janke, M Rossi, SV Levchenko, S Kokott, M Scheffler, V Blum
(2020)
Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface
M Jacobs, J Krumland, AM Valencia, H Wang, M Rossi, C Cocchi
(2020)
Emerging opportunities and future directions: General discussion
SC Althorpe, W Barford, J Blumberger, C Bungey, I Burghardt, A Datta, S Ghosh, S Giannini, T Grünbaum, S Habershon, S Hammes-Schiffer, S Hay, S Iyengar, G Jones, A Kelly, K Komarova, J Lawrence, Y Litman, J Mannouch, D Manolopoulos, C Martens, RJ Maurer, M Melander, M Rossi, K Sakaushi, M Saller, A Schile, S Sturniolo, G Trenins, G Worth
Faraday Discussions
(2020)
221
(doi: 10.1039/c9fd90077b)
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics.
Y Litman, J Behler, M Rossi
Faraday Discussions
(2020)
221
(doi: 10.1039/c9fd00056a)
Zero-point energy and tunnelling: general discussion.
SC Althorpe, AM Alvertis, W Barford, RL Benson, I Burghardt, S Giannini, S Habershon, S Hammes-Schiffer, S Hay, S Iyengar, A Kelly, K Komarova, J Lawrence, Y Litman, C Martens, RJ Maurer, D Plant, M Rossi, K Sakaushi, A Schile, S Sturniolo, DP Tew, G Trenins, G Worth
Faraday Discussions
(2020)
221
(doi: 10.1039/c9fd90075f)
Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals
N Raimbault, A Grisafi, M Ceriotti, M Rossi
New Journal of Physics
(2019)
21
(doi: 10.1088/1367-2630/ab4509)
Assessment of Approximate Methods for Anharmonic Free Energies.
V Kapil, E Engel, M Rossi, M Ceriotti
J Chem Theory Comput
(2019)
15
(doi: 10.1021/acs.jctc.9b00596)
Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals
N Raimbault, A Grisafi, M Ceriotti, M Rossi
(2019)
An Assessment of Approximate Methods for Anharmonic Free Energies
V Kapil, E Engel, M Rossi, M Ceriotti
(2019)
Rotaxane Probes for the Detection of Hydrogen Peroxide by 129 Xe HyperCEST NMR Spectroscopy.
SH Klass, AE Truxal, TA Fiala, J Kelly, D Nguyen, JA Finbloom, DE Wemmer, A Pines, MB Francis
Angewandte Chemie International Edition
(2019)
58
(doi: 10.1002/anie.201903045)
Anharmonic effects in the low-frequency vibrational modes of aspirin and paracetamol crystals
N Raimbault, V Athavale, M Rossi
Physical Review Materials
(2019)
3
(doi: 10.1103/PhysRevMaterials.3.053605)
Characterization of a trans-trans Carbonic Acid-Fluoride Complex by Infrared Action Spectroscopy in Helium Nanodroplets
DA Thomas, E Mucha, M Lettow, G Meijer, M Rossi, G von Helden
Journal of the American Chemical Society
(2019)
141
(doi: 10.1021/jacs.8b13542)
Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H-Si(111)
H Wang, SV Levchenko, T Schultz, N Koch, M Scheffler, M Rossi
Advanced Electronic Materials
(2019)
5
(doi: 10.1002/aelm.201800891)
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, A Cuzzocrea, RH Meißner, DM Wilkins, BA Helfrecht, P Juda, SP Bienvenue, W Fang, J Kessler, I Poltavsky, S Vandenbrande, J Wieme, C Corminboeuf, TD Kühne, DE Manolopoulos, TE Markland, JO Richardson, A Tkatchenko, GA Tribello, V Van Speybroeck, M Ceriotti
Computer Physics Communications
(2019)
236
(doi: 10.1016/j.cpc.2018.09.020)
Anharmonic Effects in the Low-Frequency Vibrational Modes of Aspirin and Paracetamol Crystals
N Raimbault, V Athavale, M Rossi
(2019)
Real-Space Observation of Quantum Tunneling by a Carbon Atom: Flipping Reaction of Formaldehyde on Cu(110).
C Lin, E Durant, M Persson, M Rossi, T Kumagai
Journal of Physical Chemistry Letters
(2019)
10
(doi: 10.1021/acs.jpclett.8b03806)
Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene
Y Litman, JO Richardson, T Kumagai, M Rossi
J Am Chem Soc
(2019)
141
(doi: 10.1021/jacs.8b12471)
Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H-Si(111)
H Wang, SV Levchenko, T Schultz, N Koch, M Scheffler, M Rossi
(2018)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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