Principal component analysis of molecular geometries of Cis- and trans-C2H2X2 with X = F or Cl
PC1 and PC2 score graphs show how calculated molecular geometries depend on characteristics of the molecular wave-functions of cis- and trans- difluoro- and dichloroethylene. PC1 and PC2 separate the results obtained with or without polarization functions and with or without the inclusion of electro...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2004-01-01
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| Series: | Journal of the Brazilian Chemical Society |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532004000100009 |