Theoretical and experimental models of molecules illustrated with quantum-chemical calculations of electronic structure of h2cn 2 isomers

J. F. Ogilvie; Feng Wang

Conference Proceedings

Theoretical and experimental models of molecules illustrated with quantum-chemical calculations of electronic structure of h2cn 2 isomers

Ogilvie J
Wang F

Models, Mysteries and Magic of Molecules (2008) 341-364

DOI: 10.1007/978-1-4020-5941-4_16

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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. © 2008 Springer.

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Ogilvie, J. F., & Wang, F. (2008). Theoretical and experimental models of molecules illustrated with quantum-chemical calculations of electronic structure of h2cn 2 isomers. In Models, Mysteries and Magic of Molecules (pp. 341–364). Kluwer Academic Publishers. https://doi.org/10.1007/978-1-4020-5941-4_16

Theoretical and experimental models of molecules illustrated with quantum-chemical calculations of electronic structure of h2cn 2 isomers

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