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Number of documents

38

Curruculum Vitae


Journal articles35 documents

  • Busenur Aslanoglu, Ilya Yakavets, Vladimir Zorin, Henri-Pierre Lassalle, Francesca Ingrosso, et al.. Optical properties of photodynamic therapy drugs in different environments: the paradigmatic case of temoporfin. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (29), pp.16956-16964. ⟨10.1039/D0CP02055a⟩. ⟨hal-02912976⟩
  • Catherine Demangeat, Tarak Saied, Romain Ramozzi, Francesca Ingrosso, Manuel Ruiz-Lopez, et al.. Transition-Metal-Free Approach for the Direct Arylation of Thiophene: Experimental and Theoretical Investigations towards the (Het)-Aryne Route. European Journal of Organic Chemistry, Wiley-VCH Verlag, 2019, 2019 (2-3), pp.547-556. ⟨10.1002/ejoc.201801173⟩. ⟨hal-02186820⟩
  • Walid Harb, Francesca Ingrosso, Manuel Ruiz-Lopez. Molecular insights into the carbon dioxide–carboxylate anion interactions and implications for carbon capture. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2019, 138 (7), ⟨10.1007/s00214-019-2472-8⟩. ⟨hal-02184557⟩
  • Giacomo Prampolini, Francesca Ingrosso, Javier Cerezo, Alessandro Iagatti, Paolo Foggi, et al.. Short- and Long-Range Solvation Effects on the Transient UV–Vis Absorption Spectra of a Ru(II)–Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics. Journal of Physical Chemistry Letters, American Chemical Society, 2019, 10 (11), pp.2885-2891. ⟨10.1021/acs.jpclett.9b00944⟩. ⟨hal-02184530⟩
  • Francesca Ingrosso, Manuel Ruiz-Lopez. Electronic Interactions in Iminophosphorane Superbase Complexes with Carbon Dioxide. Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (6), pp.1764-1770. ⟨10.1021/acs.jpca.7b11853⟩. ⟨hal-01964855⟩
  • Ilya Yakavets, Henri-Pierre Lassalle, Igor Yankovsky, Francesca Ingrosso, Antonio Monari, et al.. Evaluation of temoporfin affinity to β-cyclodextrins assuming self-aggregation. Journal of Photochemistry and Photobiology A: Chemistry, Elsevier, 2018, 367, pp.13-21. ⟨10.1016/j.jphotochem.2018.07.046⟩. ⟨hal-01861135⟩
  • Giacomo Prampolini, Francesca Ingrosso, Alekos Segalina, Stefano Caramori, Paolo Foggi, et al.. Dynamical and Environmental Effects on the Optical Properties of an Heteroleptic Ru(II)–Polypyridine Complex: A Multilevel Approach Combining Accurate Ground and Excited State QM-Derived Force Fields, MD and TD-DFT. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 15 (1), pp.529-545. ⟨10.1021/acs.jctc.8b01031⟩. ⟨hal-01964854⟩
  • Francesca Ingrosso, Manuel Ruiz-Lopez, Alain Walcarius. Physical Chemistry in France. ChemPhysChem, Wiley-VCH Verlag, 2017, 18 (19), pp.2558-2559. ⟨10.1002/cphc.201700907⟩. ⟨hal-01941811⟩
  • Francesca Ingrosso, Manuel Ruiz-Lopez. Modeling Solvation in Supercritical CO2. ChemPhysChem, Wiley-VCH Verlag, 2017, 18 (19), pp.2560-2572. ⟨10.1002/cphc.201700434⟩. ⟨hal-01964857⟩
  • Francesca Ingrosso, Muhannad Altarsha, Florence Dumarçay, Gwendal Kevern, Danielle Barth, et al.. Driving Forces Controlling Host-Guest Recognition in Supercritical Carbon Dioxide Solvent.. Chemistry - A European Journal, Wiley-VCH Verlag, 2016, 22 (9), pp.2972-2979. ⟨10.1002/chem.201503780⟩. ⟨hal-01496660⟩
  • Oleksandr Loboda, Francesca Ingrosso, Manuel Ruiz-Lopez, Heribert Reis, Claude Millot. Dipole and quadrupole polarizabilities of the water molecule as a function of geometry. Journal of Computational Chemistry, Wiley, 2016, 37 (23), pp.2125-2132. ⟨10.1002/jcc.24431⟩. ⟨hal-01964858⟩
  • Oleksandr Loboda, Francesca Ingrosso, Manuel Ruiz-Lopez, Krzysztof Szalewicz, Claude Millot. Geometry-dependent distributed polarizability models for the water molecule. Journal of Chemical Physics, American Institute of Physics, 2016, 144 (3), pp.034304. ⟨10.1063/1.4939519⟩. ⟨hal-01964860⟩
  • Antoine Marion, Gerald Monard, Manuel Ruiz-Lopez, Francesca Ingrosso. Water interactions with hydrophobic groups: Assessment and recalibration of semiempirical molecular orbital methods. Journal of Chemical Physics, American Institute of Physics, 2014, 141 (3), pp.034106. ⟨10.1063/1.4886655⟩. ⟨hal-01964863⟩
  • Emilio San-Fabián, Francesca Ingrosso, Alexandrine Lambert, Margarita Bernal-Uruchurtu, Manuel Ruiz-Lopez. Theoretical insights on electron donor–acceptor interactions involving carbon dioxide. Chemical Physics Letters, Elsevier, 2014, 601, pp.98-102. ⟨10.1016/j.cplett.2014.03.084⟩. ⟨hal-01964890⟩
  • Marwa Farag, Adolfo Bastida, Manuel Ruiz-Lopez, Gerald Monard, Francesca Ingrosso. Vibrational Energy Relaxation of the Amide I Mode of N -Methylacetamide in D 2 O Studied through Born–Oppenheimer Molecular Dynamics. Journal of Physical Chemistry B, American Chemical Society, 2014, 118 (23), pp.6186-6197. ⟨10.1021/jp500304z⟩. ⟨hal-01964889⟩
  • Marwa Farag, Manuel Ruiz-Lopez, Adolfo Bastida, Gerald Monard, Francesca Ingrosso. Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme. Journal of Physical Chemistry B, American Chemical Society, 2014, 119 (29), pp.9056-9067. ⟨10.1021/jp508675a⟩. ⟨hal-01964862⟩
  • Luis Miguel Azofra, Muhannad Altarsha, Manuel Ruiz-Lopez, Francesca Ingrosso. A theoretical investigation of the CO2-philicity of amides and carbamides. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2013, 132 (4), ⟨10.1007/s00214-012-1326-4⟩. ⟨hal-02105644⟩
  • Aurora Muñoz-Losa, Marilia T.C. Martins-Costa, Francesca Ingrosso, Manuel Ruiz-Lopez. Correlated ab initio molecular dynamics simulations of the acetone–carbon dioxide complex: implications for solubility in supercritical CO 2. Molecular Simulation, Taylor & Francis, 2013, 40 (1-3), pp.154-159. ⟨10.1080/08927022.2013.840904⟩. ⟨hal-01964891⟩
  • Francesca Ingrosso, Branka Ladanyi. Intermolecular Structure and Collective Dynamics of Supercritical Fluoroform Studied by Molecular Dynamics Simulations. Journal of Physical Chemistry B, American Chemical Society, 2013, 117 (2), pp.654-667. ⟨10.1021/jp310246v⟩. ⟨hal-01964894⟩
  • Muhannad Altarsha, Violeta Yeguas, Francesca Ingrosso, Ramón López, Manuel Lopez. Taste for Chiral Guests: Investigating the Stereoselective Binding of Peptides to β-Cyclodextrins. Journal of Physical Chemistry B, American Chemical Society, 2013, 117 (11), pp.3091-3097. ⟨10.1021/jp311671w⟩. ⟨hal-01964892⟩
  • Muhannad Altarsha, Francesca Ingrosso, Manuel Ruiz-Lopez. A new glimpse into the CO(2)-philicity of carbonyl compounds. ChemPhysChem, Wiley-VCH Verlag, 2012, 13 (14), pp.3397-3403. ⟨10.1002/cphc.201200135⟩. ⟨hal-01964895⟩
  • Muhannad Altarsha, Francesca Ingrosso, Manuel Ruiz-Lopez. Cavity Closure Dynamics of Peracetylated β-Cyclodextrins in Supercritical Carbon Dioxide. Journal of Physical Chemistry B, American Chemical Society, 2012, 116 (13), pp.3982-3990. ⟨10.1021/jp3001064⟩. ⟨hal-01964912⟩
  • Francesca Ingrosso, Gérald Monard, Marwa Hamdi Farag, Adolfo Bastida, Manuel Ruiz-López. Importance of Polarization and Charge Transfer Effects to Model the Infrared Spectra of Peptides in Solution. Journal of Chemical Theory and Computation, American Chemical Society, 2011, 7 (6), pp.1840-1849. ⟨10.1021/ct2000588⟩. ⟨hal-01964896⟩
  • Francesca Ingrosso, Rossend Rey, Thomas Elsaesser, James Hynes. Ultrafast Energy Transfer from the Intramolecular Bending Vibration to Librations in Liquid Water. Journal of Physical Chemistry A, American Chemical Society, 2009, 113 (24), pp.6657-6665. ⟨10.1021/jp9022713⟩. ⟨hal-01964898⟩
  • Rossend Rey, Francesca Ingrosso, Thomas Elsaesser, James Hynes. Pathways for H 2 O Bend Vibrational Relaxation in Liquid Water. Journal of Physical Chemistry A, American Chemical Society, 2009, 113 (31), pp.8949-8962. ⟨10.1021/jp9036342⟩. ⟨hal-01964897⟩
  • Benedetta Mennucci, Marco Caricato, Francesca Ingrosso, Chiara Cappelli, Roberto Cammi, et al.. How the Environment Controls Absorption and Fluorescence Spectra of PRODAN: A Quantum-Mechanical Study in Homogeneous and Heterogeneous Media †. Journal of Physical Chemistry B, American Chemical Society, 2008, 112 (2), pp.414-423. ⟨10.1021/jp076138m⟩. ⟨hal-01964899⟩
  • Marco Caricato, Benedetta Mennucci, Jacopo Tomasi, Francesca Ingrosso, Roberto Cammi, et al.. Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory. Journal of Chemical Physics, American Institute of Physics, 2006, 124 (12), pp.124520. ⟨10.1063/1.2183309⟩. ⟨hal-01964903⟩
  • Francesca Ingrosso, Branka Ladanyi, Benedetta Mennucci, Giovanni Scalmani. Solvation of Coumarin 153 in Supercritical Fluoroform. Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (10), pp.4953-4962. ⟨10.1021/jp056226b⟩. ⟨hal-01964904⟩
  • Giorgio Cinacchi, Francesca Ingrosso, Alessandro Tani. Solvation Dynamics by Computer Simulation: Coumarin C153 in 1,4-Dioxane. Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (27), pp.13633-13641. ⟨10.1021/jp0616765⟩. ⟨hal-01964901⟩
  • Francesca Ingrosso, Branka Ladanyi. Solvation Dynamics of C153 in Supercritical Fluoroform: A Simulation Study Based on Two-Site and Five-Site Models of the Solvent. Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (20), pp.10120-10129. ⟨10.1021/jp061170m⟩. ⟨hal-01964902⟩
  • Marco Caricato, Francesca Ingrosso, Benedetta Mennucci, Hirofumi Sato. Electron Transfer in a Radical Ion Pair: Quantum Calculations of the Solvent Reorganization Energy. Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (49), pp.25115-25121. ⟨10.1021/jp0632586⟩. ⟨hal-01964900⟩
  • Marco Caricato, Francesca Ingrosso, Benedetta Mennucci, Jacopo Tomasi. A time-dependent polarizable continuum model: Theory and application. Journal of Chemical Physics, American Institute of Physics, 2005, 122 (15), pp.154501. ⟨10.1063/1.1879952⟩. ⟨hal-01964905⟩
  • Francesca Ingrosso, Alessandro Tani, Jacopo Tomasi. Solvation response in water: a study based on molecular dynamics simulations and quantum mechanical calculations. Journal of Molecular Liquids, Elsevier, 2005, 117 (1-3), pp.85-92. ⟨10.1016/j.molliq.2004.08.018⟩. ⟨hal-01964906⟩
  • Francesca Ingrosso, Branka Ladanyi, Benedetta Mennucci, M. Dolores Elola, Jacopo Tomasi. Solvation Dynamics in Acetonitrile: A Study Incorporating Solute Electronic Response and Nuclear Relaxation. Journal of Physical Chemistry B, American Chemical Society, 2005, 109 (8), pp.3553-3564. ⟨10.1021/jp0456032⟩. ⟨hal-01964907⟩
  • Francesca Ingrosso, Benedetta Mennucci, Jacopo Tomasi. Quantum mechanical calculations coupled with a dynamical continuum model for the description of dielectric relaxation: Time dependent Stokes shift of coumarin C153 in polar solvents. Journal of Molecular Liquids, Elsevier, 2003, 108 (1-3), pp.21-46. ⟨10.1016/S0167-7322(03)00172-7⟩. ⟨hal-01964908⟩

Conference papers3 documents

  • Ilya Yakavets, Henri-Pierre Lassalle, Igor Yankovsky, Antonio Monari, Francesca Ingrosso, et al.. Formation of inclusion complexes between temoporfin and β-cyclodextrins. Journées 2019 de la Société Française de Photobiologie : "Photobiologie sous le Soleil", Nov 2019, Paris, France. ⟨hal-02415859⟩
  • Polina Mikhel, Francesca Ingrosso, Alain Polguère. Towards a Multilingual Resource on the Language of Chemistry: a Lexical Network Approach: Scientific outreach vs Teaching, Perception and Communication in Chemistry. 47th IUPAC World Chemistry Congress, Jul 2019, Paris, France. ⟨hal-02486009⟩
  • Francesca Ingrosso, Alain Polguère. How Terms Meet in Small-World Lexical Networks: The Case of Chemistry Terminology. Terminology and Artificial Intelligence (TIA 2015), Thierry Poibeau and Pamela Faber, Nov 2015, Granada, Spain. pp.167-171. ⟨halshs-01226185⟩