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Extension of the frontier reactivity indices to groups of atoms and application to quantitative structure-activity relationship studies

✍ Scribed by JoséMaria Pires; Wely Brasil Floriano; Anderson Coser Gaudio


Book ID
114142050
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
843 KB
Volume
389
Category
Article
ISSN
0166-1280

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