DFT/B3LYP study of the substituent effects on O-H bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment
Meysam Najafi, Elyas Nazarparvar, Kaveh Haghighi Mood, Mansour Zahedi, Erik Klein
Computational and Theoretical Chemistry
Volume 965, Issue 1, April 2011, Pages 114-122
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http://dx.doi.org/10.1016/j.comptc.2011.01.035