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Computational calculation of absolute aqueous pK(a) values for phenols

Cunningham, ID, Bhaila, K and Povey, DC (2013) Computational calculation of absolute aqueous pK(a) values for phenols COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1019. pp. 55-60.

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Item Type: Article
Authors :
NameEmailORCID
Cunningham, IDi.cunningham@surrey.ac.ukUNSPECIFIED
Bhaila, KUNSPECIFIEDUNSPECIFIED
Povey, DCUNSPECIFIEDUNSPECIFIED
Date : 1 September 2013
Identification Number : 10.1016/j.comptc.2013.06.031
Uncontrolled Keywords : Science & Technology, Physical Sciences, Chemistry, Physical, Chemistry, CHEMISTRY, PHYSICAL, Computational chemistry, Physical organic chemistry, Aqueous acidity, Phenols, PRINCIPLES-BASED METHOD, DOUBLE-RESONANCE SPECTROSCOPY, SOLVATION FREE-ENERGIES, COSMO-RS, OXIDATION POTENTIALS, SUBSTITUTED PHENOLS, ORGANIC-MOLECULES, CONTINUUM MODEL, ACIDS, ACETONITRILE
Related URLs :
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:57
Last Modified : 17 May 2017 15:07
URI: http://epubs.surrey.ac.uk/id/eprint/837372

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