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Molecular mechanics application in inorganic Chemistry

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Author(s): Coelho Lilian Weitzel | Junqueira Georgia Maria Amaral | Machuca Herrera Juan Omar | Machado Sérgio de Paula | Machado Bianca da Cunha

Journal: Química Nova
ISSN 0100-4042

Volume: 22;
Issue: 3;
Start page: 396;
Date: 1999;
Original page

Keywords: molecular mechanics | coordination compounds | trans effect

ABSTRACT
The present paper is a review about basic principles of the molecular mechanics that is the most important tool used in molecular modeling area, and their applications to the calculation of the relative stability and chemical reactivity of organometalic and coordination compounds. We show how molecular mechanics can be successfully applied to a wide variety of inorganic systems.

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