검색결과 : 140건
| No. | Article |
|---|---|
| 1 |
How Collective Phenomena Impact CO2 Reactivity and Speciation in Different Media Polino D, Grifoni E, Rousseau R, Parrinello M, Glezakou VA Journal of Physical Chemistry A, 124(20), 3963, 2020 |
| 2 |
Solvent-mediated morphology selection of the active pharmaceutical ingredient isoniazid: Experimental and simulation studies Han D, Karmakar T, Bjelobrk Z, Gong J, Parrinello M Chemical Engineering Science, 204, 320, 2019 |
| 3 |
Kinetics of Aqueous Media Reactions via Ab Initio Enhanced Molecular Dynamics: The Case of Urea Decomposition Polino D, Parrinello M Journal of Physical Chemistry B, 123(31), 6851, 2019 |
| 4 |
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations Casasnovas R, Limongelli V, Tiwary P, Carloni P, Parrinello M Journal of the American Chemical Society, 139(13), 4780, 2017 |
| 5 |
Insight into the nucleation of urea crystals from the melt Gibertihi F, Salvalaglio M, Mazzotti M, Parrinello M Chemical Engineering Science, 121, 51, 2015 |
| 6 |
Combustion Chemistry via Metadynamics: Benzyl Decomposition Revisited Polino D, Parrinello M Journal of Physical Chemistry A, 119(6), 978, 2015 |
| 7 |
The role of the umbrella inversion mode in proton diffusion Hassanali AA, Giberti F, Sosso GC, Parrinello M Chemical Physics Letters, 599, 133, 2014 |
| 8 |
The Role of Quantum Effects on Structural and Electronic Fluctuations in Neat and Charged Water Giberti F, Hassanali AA, Ceriotti M, Parrinello M Journal of Physical Chemistry B, 118(46), 13226, 2014 |
| 9 |
Investigating the Mechanism of Substrate Uptake and Release in the Glutamate Transporter Homologue Glt(Ph) through Metadynamics Simulations Grazioso G, Limongelli V, Branduardi D, Novellino E, De Micheli C, Cavalli A, Parrinello M Journal of the American Chemical Society, 134(1), 453, 2012 |
| 10 |
The Fuzzy Quantum Proton in the Hydrogen Chloride Hydrates Hassanali AA, Cuny J, Ceriotti M, Pickard CJ, Parrinello M Journal of the American Chemical Society, 134(20), 8557, 2012 |