Estudo teórico das transições eletrônicas usando métodos simples e sofisticados
In this paper, the use of both simple and sophisticated models in the study of electronic transitions was explored for a set of molecular systems: C2H4, C4H4, C4H6, C6H6, C6H8, "C8", C60, and [H2NCHCH(CHCH)kCHNH2]+, where k = 0 to 4. The simple model of the free particle (1D, 2D, and 3D bo...
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| Format: | Article |
| Language: | English |
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Sociedade Brasileira de Química
2013-01-01
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| Series: | Química Nova |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422013000400019&lng=en&tlng=en |