화학공학소재연구정보센터
Journal of Chemical Physics, Vol.119, No.9, 4620-4628, 2003
Distributed dispersion: A new approach
Distributed polarizability and dispersion models can be constructed by analyzing the response, at each point in an array surrounding the molecule, to the field due to a point charge at each point of the array in turn, in an extension of the method described by Dehez [Chem. Phys. Lett. 338, 180 (2001)]. Anisotropic distributed polarizabilities and anisotropic distributed C-6 dispersion coefficients have been calculated for carbon dioxide, water, benzene and ethane. (C) 2003 American Institute of Physics.