Index Name
Cacelli, IvoSimilar Names
Cacelli, I.Co-authors
Amovilli, Claudio; Bizzarri, Marco; Campanile, Silvio; Domenici, Valentina; Fodor-Csorba, Katalin; Lebar, Andrjia; Prampolini, Giacomo; Tani, Alessandro; Veracini, Carlo Alberto; Zalar, Bostjan; de Gaetani, LucaPublication Titles
2002: Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4'- cyanobiphenyl (5CB) dimer2002: Stability of the nematic phase of 4-n-pentyl-4'-cyanobiphenyl studied by computer simulation using a hybrid model
2004: Intermolecular Force Fields of Large Molecules by the Fragmentation Reconstruction Method (FRM): Application to a Nematic Liquid Crystal
2005: Atomistic Simulation of a Nematogen Using a Force Field Derived from Quantum Chemical Calculations
2007: Banana-shaped molecules peculiarly oriented in a magnetic field: 2H NMR spectroscopy and quantum mechanical calculations
2007: How the Odd-Even Effects on the Inter-Molecular Potentials Propagate to the Order Parameter in the 4-Cyano-4'n-Alkylbiphenyl Series
2007: Liquid Crystal Properties of the n-Alkyl-cyanobiphenyl Series from Atomistic Simulations with Ab Initio Derived Force Fields
Sources
ChemPhysChem, 8, 2321J. Chem. Phys., 117, 3003
J. Chem. Phys., 117, 448
J. Phys. Chem. A, 108, 10336
J. Phys. Chem. B, 109, 3531
J. Phys. Chem. B, 111, 2130
Mol. Cryst. Liq. Cryst., 465, 175
