| 1 |
Benchmarking Cation-pi Interactions: Assessment of Density Functional Theory and Moller-Plesset Second-Order Perturbation Theory Calculations with Optimized Basis Sets (MP2(mod)) for Complexes of Benzene, Phenol, and Catechol with Na+, K+, Rb+, and Cs+
Ferretti A, d'Ischia M, Prampolini G
Journal of Physical Chemistry A, 124(17), 3445, 2020 |
| 2 |
Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine
Cacelli I, Ferretti A, Prampolini G
Journal of Physical Chemistry A, 119(21), 5250, 2015 |
| 3 |
Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties
Prampolini G, Monti S, De Mitri N, Barone V
Chemical Physics Letters, 601, 134, 2014 |
| 4 |
Structure and Dynamics of Ferrocyanide and Ferricyanide Anions in Water and Heavy Water: An Insight by MD Simulations and 2D IR Spectroscopy
Prampolini G, Yu PY, Pizzanelli S, Cacelli I, Yang F, Zhao JA, Wang JP
Journal of Physical Chemistry B, 118(51), 14899, 2014 |
| 5 |
Simulating DNA Hybridization on an Amine-Functionalized Silicon Substrate
Monti S, Cacelli I, Ferretti A, Prampolini G, Barone V
Journal of Physical Chemistry B, 114(25), 8341, 2010 |
| 6 |
Solvent-Induced Stereochemical Behavior of a Bile Acid-Based Biphenyl Phosphite: A Computational Study
Cimoli A, Prampolini G, Tani A
Journal of Physical Chemistry A, 113(52), 14930, 2009 |
| 7 |
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approaches
Barone V, Cacelli I, Cimino P, Ferretti A, Monti S, Prampolini G
Journal of Physical Chemistry A, 113(52), 15150, 2009 |
| 8 |
Atomistic computer simulation and experimental study on the dynamics of the n-cyanobiphenyls mesogenic series
Cifelli M, De Gaetani L, Prampolini G, Tani A
Journal of Physical Chemistry B, 112(32), 9777, 2008 |
| 9 |
Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with Ab initio derived force fields
Cacelli I, De Gaetani L, Prampolini G, Tani A
Journal of Physical Chemistry B, 111(9), 2130, 2007 |
| 10 |
Anomalous diffusion and cage effects in the isotropic phase of a liquid crystal
De Gaetani L, Prampolini G, Tani A
Journal of Physical Chemistry B, 111(26), 7473, 2007 |
