Oxidation of Methanol by FeO2+ in Water: DFT Calculations in the Gas Phase and Ab Initio MD Simulations in Water Solution
Author:
Affiliation:
1. Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp075914n
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