Oxidation of Methanol by FeO2+in Water:  DFT Calculations in the Gas Phase and Ab Initio MD Simulations in Water Solution

Published 2008 View Full Article

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Title
Oxidation of Methanol by FeO2+in Water:  DFT Calculations in the Gas Phase and Ab Initio MD Simulations in Water Solution
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 112, Issue 5, Pages 1000-1012
Publisher
American Chemical Society (ACS)
Online
2008-01-16
DOI
10.1021/jp075914n

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