Mechanisms of the Reactions of W and W+ with NOx (x = 1, 2): A Computational Study
Author:
Affiliation:
1. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, Georgia 30322
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp067238f
Reference75 articles.
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2. Ab Initio Molecular Orbital Study of Electronic and Geometrical Structures of MCH2+Complex and its Reactivity with H2, Where M = Co, Rh, and Ir
3. Ab initio study of the molecular and electronic structure of CoCH2+ and of the reaction mechanism of methylenecobalt(1+) + hydrogen
4. Ab initio molecular orbital study of the molecular and electronic structure of FeCH+2 and of the reaction mechanism of FeCH+2+H2
5. Molecular Orbital Study of the Reaction Mechanism of Sc+ with Methane. Comparison of the Reactivity of Early and Late First-Row Transition Metal Cations and Their Carbene Complexes
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1. Computational Study for the Circular Reaction Mechanisms of N2O with CO Catalyzed by Rh and Rh+;The Journal of Physical Chemistry C;2014-12-26
2. Theoretical Investigations of Spin–Orbit Coupling and Kinetics in Reaction W + NH3 → N≡WH3;The Journal of Physical Chemistry A;2012-03-06
3. Quantum-chemical calculations on the mechanisms of reactions of W and W+ with N2O;Chemical Physics Letters;2009-03
4. A first principles study of NO2 chemisorption on silicon carbide nanotubes;Chemical Physics;2009-01
5. First Principles Study of NO and NNO Chemisorption on Silicon Carbide Nanotubes and Other Nanotubes;Journal of Chemical Theory and Computation;2008-09-12
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