NCT: pacote de tratamento de coordenadas normais (versão 7) NCT: normal coordinate treatment package (version 7)
<abstract language="eng">A new version of the normal coordinate analysis package NCT is presented. The upgrade was mainly devised to enable the NCT package to manipulate easily the Hessian matrix evaluated by quantum chemical calculations. Program codes were almost wholly rewritten t...
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| Format: | Article |
| Language: | English |
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Sociedade Brasileira de Química
2004-08-01
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| Series: | Química Nova |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422004000400023 |