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ZIP Archive - 50.1 KB - MD5: 90099d740df0143157daeabbf64c070d
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Este arquivo no formato .zip contém as matrizes usadas para construir o modelo de calibração PLS para quantificar azeite de oliva em misturas azeite-óleo. Para saber mais informações sobre os arquivos, acesse o arquivo chamado Leia-me, item 1.
ZIP Archive - 79.7 MB - MD5: 1c8ab691fca0a528aac07daa8b3b7b10
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O arquivo no formato .zip contém os expectros dos perfis puros dos fármacos e excipientes usados no estudo. Além disso, contém os arquivos dos espectros das misturas dos excipientes usada na otimização da mistura ideal entre Lauril Lactato, Arlasolve e Crodamol CP. Por fim, conte...
Adobe PDF - 138.2 KB - MD5: 27344ea924875a76d20b39008b4aa6be
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O arquivo no formato .pdf contém informações sobre os dados, arquivos e matrizes descritas em cada arquivo .zip acima.
Feb 27, 2026
Pereira, Gabriel César; Custodio, Rogério, 2026, "DFT single point calculations for the g3/05 test set", https://doi.org/10.25824/redu/NEGKHG, Repositório de Dados de Pesquisa da Unicamp, V1
Single point calculations using DFT for the molecules present in the G3/05 test set. These calculations were used to train AI models to predict the best functional to be used in the determination of heats of formation using DFT.
JSON - 122.4 KB - MD5: 59cfc6bfcc9e46b576d6523ce9f69834
JSON - 115.8 KB - MD5: fc90a12c5ec1ca9dc932bb9b94b4870a
JSON - 122.4 KB - MD5: d21b98ec48d459cecb187e188403a254
JSON - 97.9 KB - MD5: 0ec8d6187187debb98ed202a4415ad81
JSON - 105.3 KB - MD5: 02660bf22a39d41f13dc7026f30b850b
JSON - 116.1 KB - MD5: 2d6ae5f494f464e726a3dae9b16bc296
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