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A. A. Mikhailov, T. Woike, A. Gansmüller, D. Schaniel, and G. A. Kostin.
Photoinduced linkage isomers in a model ruthenium nitrosyl complex: Identification and assignment of vibrational modes.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 263: 120217, dec 2021.
doi: rm10.1016/j.saa.2021.120217.
URL https://doi.org/10.1016/j.saa.2021.120217.
2017CPMXX0085.
A. Mishra, P. Baranek, and A. Postnikov.
First-principles investigation of co2, co, and o2 adsorptions on the (001)-reconstructed surfaces of cspbx3 (x = cl, br, and i) perovskites.
Surfaces and Interfaces, 25: 101264, aug 2021.
doi: rm10.1016/j.surfin.2021.101264.
URL https://doi.org/10.1016/j.surfin.2021.101264.
2019CPMXX0918.
M. Ndour, L. Chaput, and P. Jund.
Classical molecular dynamics study of small samples of amorphous silica : structural and dynamical properties.
Journal of Non-Crystalline Solids, 569: 120995, oct 2021.
doi: rm10.1016/j.jnoncrysol.2021.120995.
URL https://doi.org/10.1016/j.jnoncrysol.2021.120995.
2017EMPPX0195.
D. Osenberg, C. V. Manzano, M. Mart&́#305;n-González, N. Stein, M. D. Vos, S. Mischler, D. Lacroix, G. Pernot, and L. Philippe.
Development of microdevices for the in-plane thermoelectric characterization of deposited films.
Journal of Materials Research and Technology, 15: 1190–1200, nov 2021.
doi: rm10.1016/j.jmrt.2021.08.109.
URL https://doi.org/10.1016/j.jmrt.2021.08.109.
2017EMPPX0195.
M. Pariente.
Implicit and explicit phase modeling in deep learning-based source separation.
Theses, Université de Lorraine, Sept. 2021.
URL https://hal.univ-lorraine.fr/tel-03395953.
2017AM2IX0368.
F. Pascale, P. D’Arco, and R. Dovesi.
The ferromagnetic and anti-ferromagnetic phases (cubic, tetragonal, orthorhombic) of kmnf3. a quantum mechanical investigation.
Physical Chemistry Chemical Physics, 23 (47): 26780–26792, 2021a.
doi: rm10.1039/d1cp03816h.
URL https://doi.org/10.1039/d1cp03816h.
2018CPMXX0429.
F. Pascale, P. D’Arco, F. Gentile, and R. Dovesi.
Strategies for the optimization of the structure of crystalline compounds.
Journal of Computational Chemistry, 43 (3): 184–196, nov 2021b.
doi: rm10.1002/jcc.26781.
URL https://doi.org/10.1002/jcc.26781.
2018CPMXX0429.
F. Pascale, P. D’Arco, V. Lacivita, and R. Dovesi.
The superexchange mechanism in crystalline compounds. the case of kmf3 (m = mn, fe, co, ni) perovskites.
Journal of Physics: Condensed Matter, 34 (7): 074002, nov 2021c.
doi: rm10.1088/1361-648x/ac36fe.
URL https://doi.org/10.1088/1361-648x/ac36fe.
2018CPMXX0429.
J. Pecourneau, R. Losantos, A. Monari, S. Parant, A. Pasc, and M. Mourer.
Synthesis and photoswitching properties of bioinspired dissymmetric gamma-pyrone, an analogue of cyclocurcumin.
The Journal of Organic Chemistry, 86 (12): 8112–8126, jun 2021.
doi: rm10.1021/acs.joc.1c00598.
URL https://doi.org/10.1021/acs.joc.1c00598.
2019CPMXX0983.
G. Pernot, A. Metjari, H. Chaynes, M. Weber, M. Isaiev, and D. Lacroix.
Frequency domain analysis of 3w-scanning thermal microscope probe-application to tip/surface thermal interface measurements in vacuum environment.
Journal of Applied Physics, 129 (5): 055105, feb 2021.
doi: rm10.1063/5.0020975.
URL https://doi.org/10.1063/5.0020975.
2017EMPPX0195.
A. Platonenko, F. Colasuonno, F. S. Gentile, F. Pascale, and R. Dovesi.
Oxygen and vacancy defects in silicon. a quantum mechanical characterization through the IR and raman spectra.
The Journal of Chemical Physics, 154 (17): 174707, may 2021a.
doi: rm10.1063/5.0044106.
URL https://doi.org/10.1063/5.0044106.
2018CPMXX0429.
A. Platonenko, F. S. Gentile, F. Pascale, P. D’Arco, and R. Dovesi.
Interstitial carbon defects in silicon. a quantum mechanical characterization through the infrared and raman spectra.
Journal of Computational Chemistry, 42 (12): 806–817, mar 2021b.
doi: rm10.1002/jcc.26500.
URL https://doi.org/10.1002/jcc.26500.
2018CPMXX0429.
A. Postnikov.
Vibration spectra of mixed semiconductors from first-principles calculations as a clue to local order, strain and connectivity.
In European Materials Research Society 2021 Fall Meeting, Oral, 2021.
2019CPMXX0918.
A. Postnikov and K. Zhour.
Adsorption of atoms and molecules on graphene-like and borophene monolayers : issues of concern and sources of error.
In Workshop CMMS’2021 “Computational Methods in Materials Science : Fundamentals and Applications”, Online, 2021.
2019CPMXX0918.
A. Semmeq, M. Badawi, M.-A. Dziurla, S. Ouaskit, and A. Monari.
Nucleic acids under stress: Understanding and simulating nucleobase fragmentation pathways.
ChemPlusChem, 86 (10): 1426–1435, oct 2021.
doi: rm10.1002/cplu.202100323.
URL https://doi.org/10.1002/cplu.202100323.
2019CPMXX0983.
S. Sivasankaran, E. Vincent, and D. Fohr.
Analyzing the impact of speaker localization errors on speech separation for automatic speech recognition.
In EUSIPCO 2020 – 28th European Signal Processing Conference, Amsterdam / Virtual, Netherlands, Jan. 2021.
doi: rm10.23919/Eusipco47968.2020.9287541.
URL https://hal.inria.fr/hal-02355669.
2017AM2IX0368.
G. Tanriver, G. Monard, and S. Catak.
Impact of deamidation on the structure and function of antiapoptotic bcl-xl.
Journal of Chemical Information and Modeling, 62 (1): 102–115, dec 2021.
doi: rm10.1021/acs.jcim.1c00808.
URL https://doi.org/10.1021/acs.jcim.1c00808.
2017CPMXX0203.
N. Turpault, R. Serizel, and E. Vincent.
Analysis of weak labels for sound event tagging.
2017AM2IX0368, working paper or preprint, Apr. 2021a.
URL https://hal.inria.fr/hal-03203692.
N. Turpault, R. Serizel, S. Wisdom, H. Erdogan, J. R. Hershey, E. Fonseca, P. Seetharaman, and J. Salamon.
Sound Event Detection and Separation: a Benchmark on Desed Synthetic Soundscapes.
In ICASSP 2021 – 46th International Conference on Acoustics, Speech, and Signal Processing, Toronto/Virtual, Canada, June 2021b.
doi: rm10.1109/ICASSP39728.2021.9414789.
URL https://hal.inria.fr/hal-02984675.
2017AM2IX0368.
E. Wieduwilt, G. Macetti, R. Scatena, P. Macchi, and A. Genoni.
Extending libraries of extremely localized molecular orbitals to metal organic frameworks: A preliminary investigation.
Crystals, 11 (2): 207, feb 2021.
doi: rm10.3390/cryst11020207.
URL https://doi.org/10.3390/cryst11020207.
2019CPMXX0966.
A. Wierling, V. J. Schwanitz, S. Altinci, M. Bałazińska, M. J. Barber, M. E. Biresselioglu, C. Burger-Scheidlin, M. Celino, M. H. Demir, R. Dennis, N. Dintzner, A. el Gammal, C. M. Fernández-Peruchena, W. Gilcrease, P. Gładysz, C. Hoyer-Klick, K. Joshi, M. Kruczek, D. Lacroix, M. Markowska, R. Mayo-Garc&́#305;a, R. Morrison, M. Paier, G. Peronato, M. Ramakrishnan, J. Reid, A. Sciullo, B. Solak, D. Suna, W. Süß, A. Unger, M. L. F. Vanoni, and N. Vasiljevic.
FAIR metadata standards for low carbon energy research – a review of practices and how to advance.
Energies, 14 (20): 6692, oct 2021.
doi: rm10.3390/en14206692.
URL https://doi.org/10.3390/en14206692.
2017EMPPX0195.
K. Zhour and A. Postnikov.
Theoretical mapping of interaction between alkali metal atoms adsorbed on graphene-like bc3 monolayer.
physica status solidi (b), 258 (8): 2100131, jul 2021.
doi: rm10.1002/pssb.202100131.
URL https://doi.org/10.1002/pssb.202100131.
2019CPMXX0918.
Émilie Gaudry.
Surfaces of quasicrystal approximants and related phases : structure and properties.
In ISH-2021 : 1st International School on Hypermaterials, 2021a.
2017M4XXX0108.
Émilie Gaudry.
Surfaces of complex intermetallic compounds : structures and properties.
In Séminaire donné à l’Institut Jozef Stefan, Ljubljana, department K3, Slovénie, 2021b.
2017M4XXX0108.
Émilie Gaudry.
Complex intermetallic compounds : original surface structures for unusual surface properties.
In Séminaire donné dans le cadre du GDR ModMat, (Online), 2021c.
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