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REFEREED JOURNAL PUBLICATIONS

Publications HAL de linguerri de la collection MSME

2018

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Zlatko Bacic, David Benoit, Matthieu Besemer, Joël Bowman, Stephen Bradforth, et al.. Precise characterisation of isolated molecules: general discussion. Faraday Discussions, Royal Society of Chemistry, 2018, 212, pp.137-155. ⟨10.1039/C8FD90050G⟩. ⟨hal-02070254⟩
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Karim Elhadj Merabti, Sihem Azizi, Roberto Linguerri, Gilberte Chambaud, Muneerah Mogren Al Mogren, et al.. ‘Electronic and Vibrational Spectroscopy of CsS’. Journal of Physical Chemistry A, American Chemical Society, 2018, ⟨10.1021/acs.jpca.8b02543⟩. ⟨hal-01810598⟩
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2017

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L. Bonnet, R. Linguerri, M. Hochlaf, O. Yazidi, P. Halvick, et al.. Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation. Journal of Physical Chemistry Letters, American Chemical Society, 2017, 8, pp.2420-2424. ⟨10.1021/acs.jpclett.7b00920⟩. ⟨hal-01657839⟩
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Guo Huimin, Li Min, Xin Liu, Meng Changgong, Roberto Linguerri, et al.. Fe Atoms Trapped on Graphene as Potential Efficient Catalysts for Room-temperature Complete Oxidation of Formaldehyde: A First-principles Investigation. Catalysis Science and Technology, 2017, 7 (10), pp.2012. ⟨hal-01590365⟩
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R. Linguerri, C. Puzzarini, M. M. Al Mogren, J. S. Francisco, M. Hochlaf. Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO. Journal of Chemical Physics, American Institute of Physics, 2017, 146, pp.144303. ⟨10.1063/1.4979573⟩. ⟨hal-01657857⟩
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Xin Liu, Hongdan Zhu, Roberto Linguerri, Yu Han, Gilberte Chambaud, et al.. Interfacial-Bonding-Regulated CO Oxidation over Pt Atoms Immobilized on Gas-Exfoliated Hexagonal Boron Nitride. ChemistrySelect, Wiley, 2017, 2, pp.9412-9419. ⟨10.1002/slct.201701663⟩. ⟨hal-01657811⟩
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Cristina Puzzarini, Malgorzata Biczysko, Kirk Peterson, Joseph S. Francisco, Roberto Linguerri. Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification. Journal of Chemical Physics, American Institute of Physics, 2017, 147, pp.024302. ⟨10.1063/1.4990437⟩. ⟨hal-01657829⟩
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2016

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S. Almenia, M. Mogren Al Mogren, D. Ben Abdallah, R. Linguerri, M. Hochlaf. Theoretical characterization of vanadyl and VO3+ cations in gas phase. Chemical Physics Letters, Elsevier, 2016, 646, pp.142 - 147. ⟨10.1016/j.cplett.2016.01.026⟩. ⟨hal-01673186⟩
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A. G. Császár, Gilberte Chambaud, Roberto Linguerri, Majdi Hochlaf. Les Mouvements des molécules. L'Actualité Chimique, Société chimique de France, 2016. ⟨hal-01699747⟩
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G. H. Deng, Z. Wu, D. Q. Li, R. Linguerri, J. S. Francisco, et al.. Simplest N-Sulfonylamine HNSO2. Journal of the American Chemical Society, American Chemical Society, 2016, 138, pp.11509-11512. ⟨hal-01657867⟩
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P. Kutudila, R. Linguerri, M. M. Al-Mogren, C. Pichon, S. Condon, et al.. First principle investigations of organobismuth palladium-catalyzed C-C coupling reaction: mechanism, chemoselectivity and solvent effects. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2016, 135, pp.176. ⟨10.1007/s00214-016-1935-4⟩. ⟨hal-01658016⟩
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R. Linguerri, C. Puzzarini, J.S. Francisco. Structure and spectroscopic properties of low-lying states of the HOC(O)O radical. Journal of Chemical Physics, American Institute of Physics, 2016, 144, pp.084306. ⟨10.1063/1.4942196⟩. ⟨hal-01658071⟩
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O. Sghaier, R. Linguerri, M. M. Al Mogren, J. S. Francisco, M. Hochlaf. SPECTROSCOPIC CONSTANTS OF THE X-1 Sigma(+) AND 1(3)Pi STATES OF AlO+. The Astrophysical Journal, American Astronomical Society, 2016, 826, pp.163. ⟨10.3847/0004-637X/826/2/163⟩. ⟨hal-01657884⟩
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A. S. Zaag, O. Yazidi, N. E. Jaidane, M. W. Ross, A. W. Castleman, et al.. Structure, Reactivity, and Fragmentation of Small Multi-Charged Methane Clusters. Journal of Physical Chemistry A, American Chemical Society, 2016, 120, pp.1669-1676. ⟨10.1021/acs.jpca.6b00734⟩. ⟨hal-01658039⟩
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2015

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A. Bellili, R. Linguerri, M. Hochlaf, C. Puzzarini. Accurate structural and spectroscopic characterization of prebiotic molecules: The neutral and cationic acetyl cyanide and their related species. Journal of Chemical Physics, American Institute of Physics, 2015, 143, pp.184314. ⟨hal-01658098⟩
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K. Harrath, S. Boughdiri, R. Linguerri, M. Hochlaf. Mechanistic study of bismuth-catalyzed direct benzylation of 2,4-pentanediones: the case of BiCl3 and generalization. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2015, 135, pp. 2. ⟨hal-01658093⟩
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M Klinker, A. Trabattoni, J González-Vázquez, C. Liu, G. Sansone, et al.. Mapping the dissociative ionization dynamics of molecular nitrogen with attosecond resolution. Journal of Physics: Conference Series, IOP Publishing, 2015, 635 (11), ⟨10.1088/1742-6596/635/11/112101⟩. ⟨hal-01673152⟩
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A. Trabattoni, M. Klinker, J. González-Vázquez, C. Liu, G. Sansone, et al.. Mapping the Dissociative Ionization Dynamics of Molecular Nitrogen with Attosecond Time Resolution. Physical Review X, American Physical Society, 2015, 5 (4), ⟨10.1103/PhysRevX.5.041053⟩. ⟨hal-01673184⟩
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A. Trabattoni, M. Klinker, J. Gonzalez-Vazquez, C. Liu, G. Sansone, et al.. Mapping the Dissociative Ionization Dynamics of Molecular Nitrogen with Attosecond Time Resolution. Physical Review X, American Physical Society, 2015, 5, pp.041053. ⟨hal-01658090⟩
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Tarek Trabelsi, Roberto Linguerri, Saida Ben Yaghlane, Nejm-Eddine Jaidane, Muneerah Mogren Al-Mogren, et al.. On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological media. Journal of Chemical Physics, American Institute of Physics, 2015, 143 (13), ⟨10.1063/1.4932084⟩. ⟨hal-01673180⟩
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T. Trabelsi, R. Linguerri, S. Ben Yaghlane, N.E. Jaidane, M.M. Al-Mogren, et al.. On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological media. Journal of Chemical Physics, American Institute of Physics, 2015, 143, pp.134301. ⟨hal-01658136⟩
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T. Trabelsi, O. Yazidi, J.S. Francisco, R. Linguerri, M. Hochlaf. Electronic structure of NSO- and SNO- anions: Stability, electron affinity, and spectroscopic properties. Journal of Chemical Physics, American Institute of Physics, 2015, 143, pp.164301. ⟨hal-01658135⟩
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2014

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K. Abbiche, K. Marakchi, N. Komiha, J.S. Francisco, R. Linguerri, et al.. Accurate theoretical spectroscopy of the lowest electronic states of CP radical. Molecular Physics, Taylor & Francis, 2014, 112, pp.2633-2645. ⟨hal-01658139⟩
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S. Ben Yaghlane, N. E. Jaidane, C. E. Cotton, J. S. Francisco, M. M. Al Mogren, et al.. Theoretical spectroscopic investigations of HNSq and HSNq (q=0,+1,-1) in the gas phase. Journal of Chemical Physics, American Institute of Physics, 2014, 140, pp.244309. ⟨10.1063/1.4883915⟩. ⟨hal-01078645⟩
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Kévin Mathivon, Roberto Linguerri, Majdi Hochlaf. Ab initio study of the structures and electronic states of small neutral and ionic DABCO - Arn clusters. Journal of Molecular Modeling, Springer Verlag (Germany), 2014, 20, pp.2135. ⟨10.1007/s00894-014-2135-6⟩. ⟨hal-01078336⟩
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M. Patanen, C. Nicolas, Roberto Linguerri, G. Simoes, O. Travnikova, et al.. High-Resolution Photoelectron Spectroscopy with Angular Selectivity - A Tool To Probe Valence-Rydberg States and Couplings in HCl+. Journal of Physical Chemistry A, American Chemical Society, 2014, 118, pp.4975-4981. ⟨10.1021/jp504505e⟩. ⟨hal-01078617⟩
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2013

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S. Ben Yaghlane, C. E. Cotton, J. S. Francisco, Roberto Linguerri, M. Hochlaf. Ab initio structural and spectroscopic study of HPSx and HSPx (x=0,+1,-1) in the gas phase. Journal of Chemical Physics, American Institute of Physics, 2013, 139, pp.174313. ⟨10.1063/1.4827520⟩. ⟨hal-01078657⟩
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M. Delcey, R. Lindh, Roberto Linguerri, Majdi Hochlaf, J. S. Francisco. Theoretical prediction of the structure and spectroscopic properties of the X and A states of hydroxymethyl peroxy (HOCH2OO) radical. Journal of Chemical Physics, American Institute of Physics, 2013, 138, pp.021105. ⟨hal-00803943⟩
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M. Hochlaf, Roberto Linguerri, J. S. Francisco. On the role of the simplest S-nitrosothiol, HSNO, in atmospheric and biological processes. Journal of Chemical Physics, American Institute of Physics, 2013, 139, pp.234304. ⟨10.1063/1.4840495⟩. ⟨hal-01078653⟩
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Roberto Linguerri, M. Hochlaf, M.-C. Bacchus-Montabonel, M. Desouter-Lecomte. Characterization of the MgO2+ dication in the gas phase: electronic states, spectroscopy and atmospheric implications. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15 (3), pp.824. ⟨hal-00770665⟩
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K. Mathivon, Roberto Linguerri, M. Hochlaf. Systematic theoretical studies of the interaction of 1,4-diazabicyclo [2.2.2]octane (DABCO) with rare gases. Journal of Chemical Physics, American Institute of Physics, 2013, 139, pp.164306. ⟨10.1063/1.4826449⟩. ⟨hal-01078658⟩
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2012

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C. E. Cotton, J. S. Francisco, Roberto Linguerri, Alexander Mitrushchenkov. Structural and spectroscopic study of the van der Waals complex of CO with HCO(+) and the isoelectronic complex of CS with HCS(+). Journal of Chemical Physics, American Institute of Physics, 2012, 136 (18), pp.184307. ⟨hal-00712858⟩
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M. Hochlaf, Roberto Linguerri, S. S. Dalal, J. S. Francisco. Theoretical study of the spectroscopically relevant parameters for the detection of HNPq and HPNq (q=0,+1,-1) in the gas phase. Journal of Chemical Physics, American Institute of Physics, 2012, 136 (24), pp.244311. ⟨hal-00735336⟩
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Roberto Linguerri, J. S. Francisco. Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex. Journal of Chemical Physics, American Institute of Physics, 2012, 137 (21), pp.214312. ⟨hal-00770670⟩
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Roberto Linguerri, N. Komiha, M. Hochlaf. Solvation effects and stabilization of multicharged ions: a case study of ArmBeOq+ complexes. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2012, 14 (12), pp.4236-4243. ⟨10.1039/c2cp24004a⟩. ⟨hal-00692698⟩
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Alexander Mitrushchenkov, G. Fano, Roberto Linguerri, P. Palmieri. On the importance of orbital localization in QC-DMRG calculations. International Journal of Quantum Chemistry, Wiley, 2012, 112 (6), pp.1606-1619. ⟨10.1002/qua.23173⟩. ⟨hal-00692624⟩
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2010

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Isabelle Navizet, N. Komiha, Roberto Linguerri, Gilberte Chambaud, P. Rosmus. On the formation of S2O at low energies: An ab initio study. Chemical Physics Letters, Elsevier, 2010, 500 (4-6), pp.207-210. ⟨10.1016/j.cplett.2010.10.012⟩. ⟨hal-00712853⟩
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2009

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Alexander Mitrushchenkov, Roberto Linguerri, P. Rosmus, J. P. Maier. Alternation of the spin-orbit coupling in the 2 ground state of HCnS (n=1-12) radicals. Molecular Physics, Taylor & Francis, 2009, 107 (15), pp.1549-1553. ⟨10.1080/00268970902973842⟩. ⟨hal-00712847⟩
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Alexander Mitrushchenkov, Roberto Linguerri, Gilberte Chambaud. Piezoelectric Properties of AlN, ZnO, and HgxZn1-xO Nanowires by First-Principles Calculations. Journal of Physical Chemistry C, American Chemical Society, 2009, 113 (17), pp.6883-6886. ⟨10.1021/jp9007015⟩. ⟨hal-00712848⟩
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2008

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Roberto Linguerri, N. Komiha, J. Fabian, P. Rosmus. Electronic states of the ultramarine chromophore S-3(-). Zeitschrift fur Physikalische Chemie-International Journal of Research in Physic al Chemistry & Chemical Physics, 2008, 222 (1), pp.163-176. 〈10.1524/zpch.2008.222.1.163〉. 〈hal-00693591〉
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Roberto Linguerri, N. Komiha, R. Oswald, Alexander Mitrushchenkov, P. Rosmus. Electronic states of BP, BP(+)BP(-), B(2)P(2), B(2)P(2)(-) and B(2)P(2)(+). Chemical Physics, Elsevier, 2008, 346 (1-3), pp.1-7. ⟨10.1016/j.chemphys.2008.01.012⟩. ⟨hal-00712846⟩
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P. Rosmus, Roberto Linguerri, N. Komiha. First-principle computations of rotational-vibrational transition probabilities. Molecular Physics, Taylor & Francis, 2008, 106 (16-18), pp.2001-2009. ⟨10.1080/00268970802054040⟩. ⟨hal-00712844⟩
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2007

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Gm. Chen, J. M. Brown, P. Rosmus, Roberto Linguerri, N. Komiha, et al.. Dipole Moments and Orientation Polarizabilities of Diatomic Molecular Ions for Precision Atomic Mass Measurement. Physical Review A, American Physical Society, 2007, 75 (1), pp.012502. ⟨hal-00770702⟩
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H. Sormova, Roberto Linguerri, P. Rosmus, J. Fabian, N. Komiha. On the electronic states of S4+ and S4- isomer. Collection of Czechoslovak Chemical Communications, Institute of Organic Chemistry & Biochemistry, 2007, 72 (1), pp.83. ⟨hal-00770705⟩
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2006

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J. Fabian, N. Komiha, Roberto Linguerri, P. Rosmus. The absorption wavelengths of sulfur chromophors of ultramarines calculated by time-dependent density functional theory. Journal of Molecular Structure: THEOCHEM, Elsevier, 2006, 801 (1-3), pp.63. ⟨hal-00770688⟩
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Roberto Linguerri, P. Rosmus, S. Carter. Anharmonic vibrational levels of the two cyclic isomers of SiC3. Journal of Chemical Physics, American Institute of Physics, 2006, 125 (3), pp.34305. ⟨10.1063/1.2209693⟩. ⟨hal-00693743⟩
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2005

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C. Gillery, Roberto Linguerri, P. Rosmus, J. P. Maier. Theoretical Study of the Electronically Excited States of B4 , B4+ and B4-. Zeitschrift für Physikalische Chemie, Oldenbourg Verlag, 2005, 219 (4), pp.467. ⟨hal-00770652⟩
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Roberto Linguerri, Isabelle Navizet, P. Rosmus, S. Carter, J.P. Maier. Vibrations in the B4 rhombic structure.. Journal of Chemical Physics, American Institute of Physics, 2005, 122 (3), pp.34301. ⟨10.1063/1.1828045⟩. ⟨hal-00749402⟩
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2003

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A. O. Mitrushenkov, Roberto Linguerri, P. Palmieri, G. Fano. Quantum chemistry using the density matrix renormalization group II. Journal of Chemical Physics, American Institute of Physics, 2003, 119 (8), pp.4148. ⟨hal-00770638⟩
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2001

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Alexander Mitrushchenkov, G. Fano, F. Ortolani, Roberto Linguerri, P. Palmieri. Quantum chemistry using the density matrix renormalization group. Journal of Chemical Physics, American Institute of Physics, 2001, 115 (15), pp.6815. ⟨hal-00770619⟩
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COMMUNICATIONS IN INTERNATIONAL AND NATIONAL CONFERENCES

2017

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Gilberte Chambaud, Roberto Linguerri, Xin Liu. Catalytic oxidation reaction on modified graphene surface. MOLIM International Workshop on Molecular Quantum Dynamics and Kinetics, Apr 2017, Zurich, Switzerland. ⟨hal-01601801⟩
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2012

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Roberto Linguerri, Alexander Mitrushchenkov, R. Tarroni. Accurate calculation of vibronic spectra for triatomic molecules: AlF2 as a case study. AMOC 2012, Anharmonicity in medium-sized molecules and clusters, Apr 2012, Paris-Est Marne-la-Vallée University, France. ⟨hal-00828907⟩
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Roberto Linguerri, Alexander Mitrushchenkov, R. Tarroni. Accurate calculation of vibronic spectra for triatomic molecules: AlF2 as a case study. IMAMPC 2012, International Meeting on Atomic and Molecular Physics and Chemistry, Sep 2012, Pisa, Italy. ⟨hal-00828897⟩
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2011

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Roberto Linguerri. Calculs théoriques des propriétés piézoélectriques des nanofils et des surfaces semi- conducteurs ioniques. Université Mohamed V - Agdal - Faculté des Sciences, May 2011, Rabat, Maroc. ⟨hal-00833737⟩
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Roberto Linguerri, Alexander Mitrushchenkov, Gilberte Chambaud. Calculs théoriques des propriétés piézoélectriques des nanofils et des surfaces semi-conducteurs ioniques. Journées Modélisation de l'ENS-ENSCP, May 2011, Paris, France. ⟨hal-00828914⟩
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2010

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Gilberte Chambaud, Alexander Mitrushchenkov, Roberto Linguerri. Piezoelectric effect from the diatomics MX to the ionic nanowires of AlN, ZnO and M'xZn(1-x)O. 2d Chinese-French Workshop of Theoretical Chemistry, May 2010, Beijing, China. ⟨hal-00818842⟩
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2009

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Gilberte Chambaud, Alexander Mitrushchenkov, Roberto Linguerri. Ionicity : piezoelectric effect from diatomics to the ionic nanowires. Frontiers in Chemistry, Jul 2009, Singapour, Singapore. ⟨hal-00818839⟩
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2008

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Roberto Linguerri. Aspects de la spectroscopie computationnelle. Université Louis Pasteur, Mar 2008, France. ⟨hal-00833720⟩
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Roberto Linguerri, N. Komiha, J. Fabian, P. Rosmus. États électroniques du chromophore S3- dans l'outremer. Colloque de la division de Physique Atomique, Moléculaire et Optique de la Société Française de Physique - Journées de Spectroscopie Moléculaire, Jul 2008, Lille, France. ⟨hal-00833915⟩
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Roberto Linguerri, N. Komiha, J. Fabian, P. Rosmus. États électroniques du chromophore S3- dans l'outremer. Journées Modélisation de l'ENS-ENSCP, Jun 2008, Paris, France. ⟨hal-00828804⟩
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INVITED CONFERENCES

2017

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Gilberte Chambaud, Roberto Linguerri, Xin Liu. Catalytic oxidation reaction on modified graphene surface. MOLIM International Workshop on Molecular Quantum Dynamics and Kinetics, Apr 2017, Zurich, Switzerland. ⟨hal-01601801⟩
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2012

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Roberto Linguerri, Alexander Mitrushchenkov, R. Tarroni. Accurate calculation of vibronic spectra for triatomic molecules: AlF2 as a case study. IMAMPC 2012, International Meeting on Atomic and Molecular Physics and Chemistry, Sep 2012, Pisa, Italy. ⟨hal-00828897⟩
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2010

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Gilberte Chambaud, Alexander Mitrushchenkov, Roberto Linguerri. Piezoelectric effect from the diatomics MX to the ionic nanowires of AlN, ZnO and M'xZn(1-x)O. 2d Chinese-French Workshop of Theoretical Chemistry, May 2010, Beijing, China. ⟨hal-00818842⟩
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2009

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Gilberte Chambaud, Alexander Mitrushchenkov, Roberto Linguerri. Ionicity : piezoelectric effect from diatomics to the ionic nanowires. Frontiers in Chemistry, Jul 2009, Singapour, Singapore. ⟨hal-00818839⟩
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INVITED CHAPTERS IN BOOKS

Publications HAL de linguerri de la collection MSME

BOOKS

GUEST EDITOR OF BOOK SERIES

2013

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M. Hochlaf, Roberto Linguerri, D. Lauvergnat. PCCP themed issue ''Spectroscopy and dynamics of medium-sized molecules and clusters''. RSC Publishing, pp.567, 2013. ⟨hal-00833147⟩
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Dernière mise à jour : 08/09/2015
       

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