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Integrating Molecular Modeling into the Inorganic Chemistry Laboratory

Authors: Craig D. Montgomery;

Integrating Molecular Modeling into the Inorganic Chemistry Laboratory

Abstract

An exercise in molecular modeling is described for each of four common undergraduate lab experiments in inorganic chemistry. The molecular orbitals of BF3 and NMe3 are determined and examined as part of the experiment in which these two compounds combine to form an adduct. To accompany the preparation of linkage isomers, an exercise predicts the relative stability of the nitro isomer over the nitrito isomer and determines a possible transition state in the isomerization. The carbonyl stretching frequencies of [1,3,5-CH3(CH3)]Mo(CO)3 are calculated. Also the relative stabilities of eclipsed and staggered ferrocene derivatives are determined.

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
12
Average
Top 10%
Average
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