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Environmental Effects on the Spectroscopic Properties of Gallic Acid: A Combined Classical and Quantum Mechanical Study

✍ Scribed by Cappelli, Chiara; Mennucci, Benedetta; Monti, Susanna

Book ID
120734861
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
368 KB
Volume
109
Category
Article
ISSN
1089-5639

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## ST0 3G SCF computations are used to determine the most favorable sites of water fixation and the lability of the bindin on the dimethyiphosphata anidn. A newly circuhr region of attraction fo7 water'surrounds ach of the anionic oxygens and a number of other possible hydr-tion sites ye found wit