Browsing by Author "Laria, D"
Exploring the picosecond time domain of the solvation dynamics of coumarin 153 within beta-cyclodextrins RODRIGUEZ, J; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Laria, D (2008-07)
Restricted access - publisher's policyWe report molecular dynamics simulation results of equilibrium and dynamical characteristics pertaining to the solvation of the dye coumarin 153 (C153) trapped within hydrophobic cavities of di- and trimethylated ß-cyclodextrins ...
Laria, D; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira (2004-02)
Restricted access - publisher's policyMolecular dynamics simulations have been performed to analyze microscopic details related to aqueous solvation of excess protons along the supercritical T = 673 K isotherm, spanning a density interval from a typical liquid ...