Theoretical Calculations of The Second Hyperpolarizability inSubstituted meta-xylylene Diradicals
The electronic state ordering is calculated in substituted meta-xylylene diradicals for reproduction and comparison of results previously published by other authors. The second hyperpolarizability, γ, is calculated in the same systems using different methods. The diradical character is calculated fo...
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| Format: | Others |
| Language: | English |
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KTH, Skolan för kemivetenskap (CHE)
2012
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-150823 |