For Better Performance Please Use Chrome or Firefox Web Browser

paper30

Journal
The Journal of Physical Chemistry A
Volume
117
Issue
31
Pages
6809-6816
Publisher
American Chemical Society
Abstract
DFT calculations were employed to study tautomers of 2, 2-di (pyrimidin-2-yl) acetic acid 
(DPA) in the gas phase and in the presence of water, methanol, DMSO (microsolvation 
models), and proton (H+). In the gas phase, all three tautomers were in equilibrium with 
each other (T2 was slightly more favorable); but, in microsolvation with protic solvent, T3 was 
a major isomer. Moreover, unexpectedly enough, T1 (common form of DPA) was the least 
stable tautomer in the gas phase, while, in the water (as solvent), T1 was the most stable ...

 

تحت نظارت وف بومی

paper30 | Professor Hossein Tavakol

Error

The website encountered an unexpected error. Please try again later.

تحت نظارت وف بومی