In this paper, we present LD–MC (Langevin dipoles–Monte Carlo) technique for calculating linear polarizabilities and hyperpolarizabilities in the polar solvent.
Feb 20, 1998 · In this paper, we present LD–MC (Langevin dipoles–Monte Carlo) technique for calculating linear polarizabilities and hyperpolarizabilities in ...
Polarizabilities and hyperpolarizabilities and their frequency dispersions are calculated for para-nitroaniline in the water solvent using Langevin ...
Solvent Effect on the Nonlinear Optical Properties of Para-nitroaniline Studied By Langevin Dipoles-Monte Carlo (LD/MC) Approach ; Lipiński J., Bartkowiak W.
Solvent Effect on the Nonlinear Optical Properties of Para-nitroaniline Studied By Langevin Dipoles-Monte Carlo (LD/MC) Approach. Comput. Chem. 22(1): 31-37 ...
Abstract: The ground state geometrical energy, dipole moment, polarizability and first static hyperpolarizability of para-nitroaniline.
Missing: Langevin Monte Carlo (LD/
Oct 1, 1995 · Solvent effect on the nonlinear optical properties of para-nitroaniline studied by Langevin dipoles–Monte Carlo (LD/MC) approach. Computers ...
Solvent Effect on the Nonlinear Optical Properties of Para-nitroaniline Studied By Langevin Dipoles-Monte Carlo (LD/MC) Approach. 31-37. Electronic Edition ...
Hence, in Section 3 we present results of calculation of the solvent effect on non-linear properties of 4-nitroaniline (PNA) based on the CAMM obtained from the ...
Theoretical background and applications of methods for the calculation of solvent effects on molecular electric properties are reviewed.