Ab initio studies of excited states and reactions of organic molecules
Part A: Extensiveab initio calculations (double zeta, plus polarization function basis with correlated wave functions) on the addition of ^1O_2 ethylene are combined with standard thermochemical methods of estimating substituent effects to predict the energetics of the addition of ^1O_2 to substitut...
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| Format: | Others |
| Language: | en |
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1979
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| Online Access: | https://thesis.library.caltech.edu/5389/1/Harding_lb_1979.pdf Harding, Lawrence Brook (1979) Ab initio studies of excited states and reactions of organic molecules. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/19z3-cp09. https://resolver.caltech.edu/CaltechTHESIS:11192009-132537342 <https://resolver.caltech.edu/CaltechTHESIS:11192009-132537342> |