화학공학소재연구정보센터
Journal of Physical Chemistry, Vol.99, No.15, 5445-5456, 1995
Molecular Modeling Urea-Formaldehyde and Melamine-Formaldehyde Resins .1. A Force-Field for Urea and Melamine
A new methodology for the rapid and efficient derivation of a class II energy surface of a molecule has been demonstrated. It is shown that, where there is no existing adequate force field and insufficient experimental data from which to derive one, the method can be used to obtain a reliable representation of the energy surface. The resulting force field has been used to achieve the objective of interpreting the vibrational spectrum of melamine.