Name: Computational-Based Studies Applied in Property/Activity Relationships (en Inglés)
Price: 1357.02 MXN
Availability: InStock
Author: Belaidi, Salah ; Bouchlaleg, Lazhar ; Belaidi, Houmam
ISBN: 9786205523254

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portada Computational-Based Studies Applied in Property/Activity Relationships (en Inglés)

Formato

Libro Físico

Autor

Editorial

Idioma

Inglés

N° páginas

124

Encuadernación

Tapa Blanda

Dimensiones

22.9 x 15.2 x 0.7 cm

Peso

0.19 kg.

ISBN13

9786205523254

Categorías

Química física

Computational-Based Studies Applied in Property/Activity Relationships (en Inglés)

Salah Belaidi (Autor) · Lazhar Bouchlaleg (Autor) · Houmam Belaidi (Autor) · Scholars' Press · Tapa Blanda

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Reseña del libro "Computational-Based Studies Applied in Property/Activity Relationships (en Inglés)"

This work involves a basic and applied research on the two cores of the thiophene and pyrrole, the aim is to predict the chemical reactivity and biological activity and to establish a pharmacophore model for new bioactive molecules.The Computational Chemistry methods used in our work are: quantum methods, empirical methods. These methods were used to determine the structural parameters, electronics and energy associated with molecules studied. This study shows similar results between these various methods of calculation. The nature of such substituent (donor, acceptor) affects the electronic and energy parameters of thiophenes and pyrroles. A study of the structure-properties/activity has been carried out for a two series of bioactive derivatives of thiophene and pyrrole. The nature of the groups on heterocyclic ring of the studied molecules affects on their physico-chemical properties and by consequence on their pharmacological properties.