| Journal: | Quimica nova |
| Database: | PERIÓDICA |
| System number: | 000313412 |
| ISSN: | 0100-4042 |
| Authors: | Borges, Emílio1 Braga, Joao Pedro Belchior, Jadson Claudio |
| Institutions: | 1Universidade Federal de Minas Gerais, Instituto de Ciencias Exatas, Belo Horizonte, Minas Gerais. Brasil |
| Year: | 2007 |
| Season: | Abr |
| Volumen: | 30 |
| Number: | 2 |
| Pages: | 497-500 |
| Country: | Brasil |
| Language: | Portugués |
| Document type: | Artículo |
| Approach: | Analítico, descriptivo |
| English abstract | A simple method to obtain molecular Cartesian coordinates as a function of vibrational normal modes is presented in this work. The method does not require the definition of special matrices, like the F and G of Wilson, neither of group theory. The Eckart's conditions together with the diagonalization of kinetic and potential energy are the only required expressions. This makes the present approach appropriate to be used as a preliminary study for more advanced concepts concerning vibrational analysis. Examples are given for diatomic and triatomic molecules |
| Disciplines: | Química |
| Keyword: | Fisicoquímica y química teórica, Modos normales, Coordenadas cartesianas, Análisis vibracional |
| Keyword: | Chemistry, Physical and theoretical chemistry, Normal modes, Cartesian coordinates, Vibrational analysis |
| Full text: | Texto completo (Ver HTML) |
