Ab-initio calculations on the protonation of simple amides by H3O+. Effects of discrete hydration and solvent cavity
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference30 articles.
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1. Ionized form of acetaminophen with improved compaction properties;CrystEngComm;2012
2. Quantum/Classical Investigation of Amide Protonation in Aqueous Solution;The Journal of Physical Chemistry A;2002-08-01
3. Structural properties of protonated acyl derivatives as studied by quantum mechanics;Journal of Molecular Structure: THEOCHEM;1998-03
4. Fast dynamic excited state proton transfer (ESPT) reaction of weak oxoaromatic bases. Aminocoumarins with fixed amino group;Journal of Photochemistry and Photobiology A: Chemistry;1995-12
5. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent;Chemical Reviews;1994-11
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