| 1 |
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration
Pagliai M, Funghi G, Vassetti D, Procacci P, Chelli R, Cardini G
Journal of Physical Chemistry B, 123(18), 4055, 2019 |
| 2 |
Design of a hydraulic servo-actuation fed by a regenerative braking system
Pugi L, Pagliai M, Nocentini A, Lutzemberger G, Pretto A
Applied Energy, 187, 96, 2017 |
| 3 |
Fine-tuning of atomic point charges: Classical simulations of pyridine in different environments
Macchiagodena M, Mancini G, Pagliai M, Del Frate G, Barone V
Chemical Physics Letters, 677, 120, 2017 |
| 4 |
Photochemical Reactivity of 1,6-Methano[10]annulene
Moroni L, Pagliai M, Chelli R, Pietraperzia G, Salvi PR, Gellini C
Journal of Physical Chemistry A, 121(23), 4412, 2017 |
| 5 |
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations
Caratelli C, Cammi R, Chelli R, Pagliai M, Cardini G, Schettino V
Journal of Physical Chemistry A, 121(46), 8825, 2017 |
| 6 |
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3
Pagliai M, Cammi R, Cardini G, Schettino V
Journal of Physical Chemistry A, 120(27), 5136, 2016 |
| 7 |
Structural and Spectroscopic Properties of Methanediol in Aqueous Solutions from Quantum Chemistry Calculations and Ab Initio Molecular Dynamics Simulations
Delcroix P, Pagliai M, Cardini G, Begue D, Hanoune B
Journal of Physical Chemistry A, 119(2), 290, 2015 |
| 8 |
Identification of Di(oxymethylene)glycol in the Raman Spectrum of Formaldehyde Aqueous Solutions by ab lnitio Molecular Dynamics Simulations and Quantum Chemistry Calculations
Delcroix P, Pagliai M, Cardini G, Begue D, Hanoune B
Journal of Physical Chemistry A, 119(38), 9785, 2015 |
| 9 |
Vibrational Frequencies of Fullerenes C-60 and C-70 under Pressure Studied with a Quantum Chemical Model Including Spatial Confinement Effects
Pagliai M, Cardini G, Cammi R
Journal of Physical Chemistry A, 118(27), 5098, 2014 |
| 10 |
Bifurcated Hydrogen Bond in Lithium Nitrate Trihydrate Probed by ab Initio Molecular Dynamics
Muniz-Miranda F, Pagliai M, Cardini G, Righini R
Journal of Physical Chemistry A, 116(9), 2147, 2012 |
