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Spectroscopic Constants and Energetics of Metal-Containing Systems: An Experiment for the Undergraduate Computational-Chemistry Laboratory

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E. G. Bakalbassis , M.-A. D. Stiakaki , A. C. Tsipis and C. A. Tsipis

Laboratory of Applied Quantum Chemistry, Faculty of Chemistry, Aristotle University of Thessaloniki, 54006 Thessaloniki, Greece

J. Chem. Educ., 1996, 73 (2), p 111

DOI: 10.1021/ed073p111

Publication Date (Web): February 1, 1996

Section:

History, Education, and Documentation

Abstract

A new, safe, inexpensive, and successful undergraduate laboratory exercise that incorporates quantum chemistry is proposed based on an improved atom-superposition and electron-delocalization molecular-orbital (ASED-MO) model that is used by the students in predicting the structural, spectroscopic, and energetic properties of highly ionic metal-containing systems.

Keywords (Audience):

Second-Year Undergraduate

Keywords (Domain):

Laboratory Instruction

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Computational Chemistry

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This article has been cited by 2 ACS Journal articles (2 most recent appear below).

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