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Study of gas-phase O–H bond dissociation enthalpies and ionization potentials of substituted phenols – Applicability of ab initio and DFT/B3LYP methods |
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| Authors: | Erik Klein Vladimír Luke&#x; |
| Institution: | aInstitute of Physical Chemistry and Chemical Physics, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovak Republic |
| Abstract: | |
| Keywords: | DFT MP2 MP3 MP4 CCSD(T) Calculation |
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