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Calculating the Gibbs energy of hydrogen bonding for proton acceptors with a solvent in methanol solutions

โœ Scribed by B. N. Solomonov; K. V. Zaitseva; M. A. Varfolomeev; I. A. Sedov


Book ID
110185358
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2011
Tongue
English
Weight
207 KB
Volume
85
Category
Article
ISSN
0036-0244

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The acidities, deprotonation energies, of water and methanol were calculated by the use of the ab initio self-consistent-field (SCF) molecular orbital (MO) method with electron correlation computed by the thirdorder Meller-Plesset perturbation method and configuration interaction with double excitat