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Computational modelling Procedures for Geometry Optimization, Kinetic and Thermodynamic Calculations using Spartan Software - A Review by Adeboye Omolara in Archives of Organic and Inorganic Chemical Sciences in Lupine Publishers

Computational chemistry is a technique used only by people that have experience in using tools that are difficult to understand and apply. This reviewed article give insight to simple procedure that can be used to optimize geometry of molecules to obtain geometric parameters such as bond length, bond angles and dihedral angles and also to carry out kinetic and thermo dynamic calculations on uni- molecular reactions involving a first order and bimolecular reactions involving second order reactions.

https://www.lupinepublishers.com/chemistry-journal/fulltext/computational-modelling-procedures-for-geometry-optimization-kinetic-and-thermodynamic-calculations-using-spartan-software-a-review.ID.000123.php

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