Quantum reactive scattering studies of the CN + H2 → HCN + H reaction: the role of the non-reactive CN bond
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. Reactions of O, H, and Cl atoms with highly vibrationally excited HCN: Using product states to determine mechanisms
2. State‐to‐state reaction dynamics of R+HCN (ν1νl22ν3)→RH+CN(v, J) with R=Cl, H
3. Rate constants for the reactions CN(ν=0), CN(ν=1)+H2, D2→HCN, DCN+H, D between 295 and 768 K, and comparisons with transition state theory calculations
4. A crossed-beam study of the reaction of CN + D2. Is CN really a spectator bond?
5. Reactive scattering of CN + D2: the stereodynamics
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1. Theoretical studies of $${{\mathrm{{CN} + {H}}_{2}({\mathrm{D}}_{2})}}$$ reactions: competition between H(D)-abstractions in $${\mathrm{H(D) + HCN(DCN)/HNC(DNC)}} $$ channels;Theoretical Chemistry Accounts;2019-06-19
2. Competition between abstraction and exchange channels in H + HCN reaction: Full-dimensional quantum dynamics;The Journal of Chemical Physics;2013-12-14
3. Full dimensional quantum scattering study of the H2 + CN reaction#;Journal of Chemical Sciences;2012-01
4. Global dynamics and transition state theories: Comparative study of reaction rate constants for gas-phase chemical reactions;Journal of Computational Chemistry;2009-01-30
5. A THEORETICAL STUDY FOR H2 + CN ↔ HCN + H REACTION AND ITS KINETIC ISOTOPE EFFECTS WITH VARIATIONAL TRANSITION STATE THEORY;Journal of Theoretical and Computational Chemistry;2006-12
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