Computer Based Projects for a Chemistry Curriculum

Author(s): Thomas J. Manning and Aurora P. Gramatges

DOI: 10.2174/9781608051939113010006

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Bonds and Lone Pairs in Small Molecules: Introduction to Spartan

Pp: 18-27 (10)

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Abstract

SHS investigation development is considered from the geographical and historical viewpoint. 3 stages are described. Within Stage 1 the work was carried out in the Department of the Institute of Chemical Physics in Chernogolovka where the scientific discovery had been made. At Stage 2 the interest to SHS arose in different cities and towns of the former USSR. Within Stage 3 SHS entered the international scene. Now SHS processes and products are being studied in more than 50 countries.

Abstract

This exercise aims to introduce students to the molecular modeling (Spartan) software. Students will construct and visualize a number of small molecules in two and three dimensions, and calculate and measure some basic geometric parameters such as bond distances and angles with three-dimensional structures.

Keywords:

Chemical bonds, molecular modeling, bond distances, molecular mechanics, molecular orbital theory (MOT).

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