화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory
Micciarelli M, Curchod BFE, Bonella S, Altucci C, Valadan M, Rothlisberger U, Tavernelli I
Journal of Physical Chemistry A, 121(20), 3909, 2017
2 Thermal Diffusion in Binary Mixtures: Transient Behavior and Transport Coefficients from Equilibrium and Nonequilibrium Molecular Dynamics
Bonella S, Ferrario M, Ciccotti G
Langmuir, 33(42), 11281, 2017
3 Probabilistic Derivation of Spatiotemporal Correlation Functions in the Hydrodynamic Limit
Ciccotti G, Bonella S, Ferrario M, Pierleoni C
Journal of Physical Chemistry B, 120(8), 1996, 2016
4 Photophysics and Photochemistry of a DNA-Protein Cross-Linking Model: A Synergistic Approach Combining Experiments and Theory
Micciarelli M, Valadan M, Della Ventura B, Di Fabio G, De Napoli L, Bonella S, Rothlisberger U, Tavernelli I, Altucci C, Velotta R
Journal of Physical Chemistry B, 118(19), 4983, 2014
5 Mapping the Hydropathy of Amino Acids Based on Their Local Solvation Structure
Bonella S, Raimondo D, Milanetti E, Tramontano A, Ciccotti G
Journal of Physical Chemistry B, 118(24), 6604, 2014
6 Linearization approximations and Liouville quantum-classical dynamics
Bonella S, Ciccotti G, Kapral R
Chemical Physics Letters, 484(4-6), 399, 2010
7 Hydration Structure of the Quaternary Ammonium Cations
Babiaczyk WI, Bonella S, Guidoni L, Ciccotti G
Journal of Physical Chemistry B, 114(46), 15018, 2010
8 An adiabatic linearized path integral approach for quantum time-correlation functions II: A cumulant expansion method for improving convergence
Causo MS, Ciccotti G, Bonella S, Vuilleumier R
Journal of Physical Chemistry B, 110(32), 16026, 2006
9 Trajectory study of supercollision relaxation in highly vibrationally excited pyrazine and CO2
Li ZM, Sansom R, Bonella S, Coker DF, Mullin AS
Journal of Physical Chemistry A, 109(34), 7657, 2005
10 An adiabatic linearized path integral approach for quantum time functions: Electronic transport in metal-molten salt solutions
Causo MS, Ciccotti G, Montemayor D, Bonella S, Coker DF
Journal of Physical Chemistry B, 109(14), 6855, 2005