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Stability of the nematic phase of 4-n-pentyl-4 '-cyanobiphenyl studied by computer simulation using a hybrid model 1-gen-2002 Cacelli, Ivo; Campanile, S; Prampolini, G; Tani, Alessandro
Computer simulation of p-phenyls with interaction potentials from ab-initio calculations 1-gen-2003 Cacelli, Ivo; Cinacchi, G; Geloni, C; Prampolini, G; Tani, Alessandro
Modeling benzene with single-site potentials from ab initio calculations: A step toward hybrid models of complex molecules 1-gen-2004 Cacelli, Ivo; G., Cinacchi; G., Prampolini; Tani, Alessandro
Intermolecular Force Fields by the Fragmentation Reconstruction Method (FRM): Application to a Nematic Liquid Crystal 1-gen-2004 M., Bizzarri; Cacelli, Ivo; G., Prampolini; Tani, Alessandro
Computer simulation of mesogens with ab initio interaction potentials - An Application to oligophenyls 1-gen-2004 Cacelli, Ivo; Cinacchi, G.; Prampolini, G.; Tani, Alessandro
Computer simulation of solid and liquid benzene with an atomistic interaction potential obtained from ab-initio calculations 1-gen-2004 Cacelli, Ivo; G., Cinacchi; G., Prampolini; Tani, Alessandro
Computer Simulation of Solid and Liquid Benzene with an Atomistic Interaction Potential Derived from ab Initio Calculations 1-gen-2004 Cacelli, Ivo; G., Cinacchi; G., Prampolini; Tani, Alessandro
Computer simulation of mesogens with ab-initio interaction potentials. An application to oligophenyls 1-gen-2004 Cacelli, Ivo; G., Cinacchi; G., Prampolini; Tani, Alessandro
Atomistic Molecular Dynamics Simulation of Hexakis(pentyloxy)triphenylene: Structure and Translational Dynamics of Its Columnar State 1-gen-2004 G., Cinacchi; R., Colle; Tani, Alessandro
Modeling benzene with single-site potentials from ab initio calculations: a step toward hybrid models of complex molecules 1-gen-2004 Cacelli, Ivo; G., Cinacchi; G., Prampolini; Tani, Alessandro
Orientational dynamics in the isotropic phase of a calamitic liquid-crystal model 1-gen-2005 D., Bertolini; G., Cinacchi; L., DE GAETANI; Tani, Alessandro
Solvation response in water: a study based on molecular dynamics simulations and quantum mechanical calculations 1-gen-2005 F., Ingrosso; Tani, Alessandro; J., Tomasi
Numerical study of a calamitic liquid-crystal model: Phase behavior and structure 1-gen-2005 G., Cinacchi; L., GE GAETANI; Tani, Alessandro
Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations 1-gen-2005 Cacelli, Ivo; G., Prampolini; Tani, Alessandro
Diffusion and viscosity of a calamitic liquid crystal model studied by computer simulation 1-gen-2005 G., Cinacchi; L., DE GAETANI; Tani, Alessandro
Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations 1-gen-2005 Cacelli, Ivo; G., Prampolini; Tani, Alessandro
Solvation Dynamics by Computer Simulation: Coumarin C153 in 1,4-Dioxane 1-gen-2006 Cinacchi, Giorgio; F., Ingrosso; Tani, Alessandro
Modeling a Liquid Crystal Dynamics by Atomistic Simulation with an Ab Initio Derived Force Field 1-gen-2006 L., DE GAETANI; G., Prampolini; Tani, Alessandro
Temperature dependence of de Gennes narrowing and transport properties of liquid rubidium: Experimental and simulation results 1-gen-2007 D., Bertolini; F., Demmel; Tani, Alessandro
Sixfold bond orientational properties of a model liquid crystal in the dimensional crossover of B phases: A computer simulation study 1-gen-2007 L., DE GAETANI; Tani, Alessandro
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