MOLECULAR MODELING UREA-FORMALDEHYDE AND MELAMINE-FORMALDEHYDE RESINS.1. A FORCE-FIELD FOR UREA AND MELAMINE

Citation
Rj. Meier et al., MOLECULAR MODELING UREA-FORMALDEHYDE AND MELAMINE-FORMALDEHYDE RESINS.1. A FORCE-FIELD FOR UREA AND MELAMINE, Journal of physical chemistry, 99(15), 1995, pp. 5445-5456
Citations number
28
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
99
Issue
15
Year of publication
1995
Pages
5445 - 5456
Database
ISI
SICI code
0022-3654(1995)99:15<5445:MMUAMR>2.0.ZU;2-0
Abstract
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 expe rimental data from which to derive one, the method can be used to obta in a reliable representation of the energy surface. The resulting forc e field has been used to achieve the objective of interpreting the vib rational spectrum of melamine.