| Molecular hydrophobicity at a macroscopically hydrophilic surface JD Cyran, MA Donovan, D Vollmer, F Siro Brigiano, S Pezzotti, ... Proceedings of the national academy of sciences 116 (5), 1520-1525, 2019 | 145 | 2019 |
| 2D H-Bond Network as the Topmost Skin to the Air–Water Interface S Pezzotti, DR Galimberti, MP Gaigeot The Journal of Physical Chemistry Letters 8 (13), 3133-3141, 2017 | 130 | 2017 |
| Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear χ (2)(ω) SFG signals at charged interfaces, including χ (3)(ω) contributions S Pezzotti, DR Galimberti, YR Shen, MP Gaigeot Physical Chemistry Chemical Physics 20 (7), 5190-5199, 2018 | 118 | 2018 |
| Wrapping up hydrophobic hydration: Locality matters V Conti Nibali, S Pezzotti, F Sebastiani, DR Galimberti, G Schwaab, ... The Journal of Physical Chemistry Letters 11 (12), 4809-4816, 2020 | 67 | 2020 |
| Deconvolution of BIL-SFG and DL-SFG spectroscopic signals reveals order/disorder of water at the elusive aqueous silica interface S Pezzotti, DR Galimberti, MP Gaigeot Physical Chemistry Chemical Physics 21 (40), 22188-22202, 2019 | 55 | 2019 |
| Molecular fingerprints of hydrophobicity at aqueous interfaces from theory and vibrational spectroscopies S Pezzotti, A Serva, F Sebastiani, FS Brigiano, DR Galimberti, L Potier, ... The Journal of Physical Chemistry Letters 12 (15), 3827-3836, 2021 | 48 | 2021 |
| IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6, 6 D Galimberti, C Quarti, A Milani, L Brambilla, B Civalleri, C Castiglioni Vibrational Spectroscopy 66, 83-92, 2013 | 38 | 2013 |
| What the Diffuse Layer (DL) Reveals in Non-Linear SFG Spectroscopy S Pezzotti, D Galimberti, Y Shen, MP Gaigeot Minerals 8 (7), 305, 2018 | 35 | 2018 |
| Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface A Serva, S Pezzotti, S Bougueroua, DR Galimberti, MP Gaigeot Journal of Molecular Structure 1165, 71-78, 2018 | 33 | 2018 |
| Infrared intensities and charge mobility in hydrogen bonded complexes D Galimberti, A Milani, C Castiglioni The Journal of Chemical Physics 139 (7), 2013 | 33 | 2013 |
| DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment F Creazzo, DR Galimberti, S Pezzotti, MP Gaigeot The Journal of chemical physics 150 (4), 2019 | 31 | 2019 |
| Combining static and dynamical approaches for infrared spectra calculations of gas phase molecules and clusters DR Galimberti, A Milani, M Tommasini, C Castiglioni, MP Gaigeot Journal of Chemical Theory and Computation 13 (8), 3802-3813, 2017 | 28 | 2017 |
| Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites DR Galimberti, J Sauer Journal of chemical theory and computation 17 (9), 5849-5862, 2021 | 23 | 2021 |
| Crystal structure and vibrational spectra of poly (trimethylene terephthalate) from periodic density functional theory calculations D Galimberti, A Milani The Journal of Physical Chemistry B 118 (7), 1954-1961, 2014 | 22 | 2014 |
| Charge mobility in molecules: charge fluxes from second derivatives of the molecular dipole D Galimberti, A Milani, C Castiglioni The Journal of Chemical Physics 138 (16), 2013 | 22 | 2013 |
| Molecular charge distribution and charge fluxes from Atomic Polar Tensors: The case of OH bonds A Milani, D Galimberti, C Castiglioni, G Zerbi Journal of Molecular Structure 976 (1-3), 342-349, 2010 | 21 | 2010 |
| Polymorphism of even nylons revisited through periodic quantum chemical calculations D Galimberti, C Quarti, A Milani Polymer 67, 167-173, 2015 | 17 | 2015 |
| Conformational assignment of gas phase peptides and their H-bonded complexes using far-IR/THz: IR-UV ion dip experiment, DFT-MD spectroscopy, and graph theory for mode assignment DR Galimberti, S Bougueroua, J Mahé, M Tommasini, AM Rijs, ... Faraday discussions 217, 67-97, 2019 | 16 | 2019 |
| Intermolecular modulation of IR intensities in the solid state. The role of weak interactions in polyethylene crystal: A computational DFT study D Galimberti, A Milani, L Maschio, C Castiglioni The Journal of Chemical Physics 145 (14), 2016 | 14 | 2016 |
| Polymorphism of poly (butylene terephthalate) investigated by means of periodic density functional theory calculations A Milani, D Galimberti Macromolecules 47 (3), 1046-1052, 2014 | 13 | 2014 |
