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Theoretical and Experimental Models of Molecules Illustrated with Quantum-Chemical Calculations of Electronic Structure of H2CN2 Isomers

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Models, Mysteries and Magic of Molecules

Abstract

To compare aspects of theoretical and experimental models of molecules, we employ the results of quantum-chemical calculations on diazomethane and six structural isomers with formula H2CN2; significant deficiencies of both models impede comparison between a calculated value of a property and a corresponding value deduced from experiment

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Authors
  1. J.F. Ogilvie
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  2. Feng Wang
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Editor information

Editors and Affiliations

  1. University of Pretoria, South Africa

    Jan C.A. Boeyens

  2. Universidad de Costa Rica, Costa Rica

    J.F. Ogilvie

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Ogilvie, J., Wang, F. (2008). Theoretical and Experimental Models of Molecules Illustrated with Quantum-Chemical Calculations of Electronic Structure of H2CN2 Isomers. In: Boeyens, J.C., Ogilvie, J. (eds) Models, Mysteries and Magic of Molecules. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-5941-4_16

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