Unraveling the Way Acetaldehyde is Formed from Acetylene: A Study Based on DFT
Author:
Affiliation:
1. Research Center for Modeling & Simulation (RCMS), National University of Sciences & Technology (NUST), Islamabad 44000, Pakistan
2. Anorganisch Chemisches Institüt, Ruprecht-Karls-Universität, Heidelberg 69120, Germany
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acsomega.0c06159
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4. A DFT study of the possible role of vinylidene and carbene intermediates in the mechanism of the enzyme acetylene hydratase
5. Mechanism of tungsten-dependent acetylene hydratase from quantum chemical calculations
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