검색결과 : 41건
| No. | Article |
|---|---|
| 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 |
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 |
| 3 |
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 |
| 4 |
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 |
| 5 |
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 |
| 6 |
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 |
| 7 |
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 |
| 8 |
Structural and Vibrational Properties of Arsenic Sulfides: Alacranite (As8S9) Pagliai M, Bonazzi P, Bindi L, Muniz-Miranda M, Cardini G Journal of Physical Chemistry A, 115(17), 4558, 2011 |
| 9 |
Nitromethane Decomposition under High Static Pressure Citroni M, Bini R, Pagliai M, Cardini G, Schettino V Journal of Physical Chemistry B, 114(29), 9420, 2010 |
| 10 |
Solvation Dynamics and Adsorption on Ag Hydrosols of Oxazole: A Raman and Computational Study Pagliai M, Muniz-Miranda M, Cardini G, Schettino V Journal of Physical Chemistry A, 113(52), 15198, 2009 |