Ab Initio Molecular Orbital Study of the N(2D) + H2O Reaction
Author:
Affiliation:
1. Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki 319-1195, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9837378
Reference32 articles.
1. Kinetic study of electronically metastable nitrogen atoms, N(2 2DJ), by electron spin resonance absorption
2. Nascent rotational and vibrational state distributions of NH(X 3Σ−) and ND(X 3Σ−) produced in the reactions of N(2 2D) with H2 and D2
3. Production of NH(X3Σ−) radicals in the reaction of N(22D) with CH4: nascent rotational and vibrational distributions of NH
4. Reactions of N(22D) with Alkane Hydrocarbons to Produce NH(X3Σ−)
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4. Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathways;The Journal of Chemical Physics;2014-10-21
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