Comparative ab initio MO investigation on the reactivity of the three NH(a 1 Δ), NH(X 3 Σ − ) and NH 2 (X̃ 2 B 1 ) radical species in their bimolecular abstraction gas-phase reaction with the HN 3 molecule-Reference-Cited by-同舟云学术

Comparative ab initio MO investigation on the reactivity of the three NH(a 1 Δ), NH(X 3 Σ − ) and NH 2 (X̃ 2 B 1 ) radical species in their bimolecular abstraction gas-phase reaction with the HN 3 molecule

Published:2000-10 Issue:1-3 Volume:531 Page:283-299
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Henon E,Bohr F

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference62 articles.

1. Kinetic studies of the thermal decomposition of hydrazoic acid in shock waves

2. Pyrolyse de composés endothermiques gazeux par la méthode du tube à choc

3. Sciences et Techniques de l'Armement;Paillard;Mémorial de l'Artillerie Mémorial de l'Artillerie Française,1986

4. Thermochemistry and reactivity of the azides - I. Thermochemistry of the inorganic azides

5. An investigation about the NH(X3Σ−) formation in the thermal decomposition of HN3

Cited by 32 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. First-principle kinetic studies of unimolecular pyrolysis of isopropyl esters as biodiesel surrogates;Theoretical Chemistry Accounts;2021-07-17

2. Computational Studies on Reactions of Some Organic Azides with C−H Bonds;ChemistrySelect;2021-05-05

3. Thermal rate constant for the C( 3 P) + OH(X 2 Π) → CO(X 1 Σ) + H( 2 S) reaction using stochastic energy grained master equation method;International Journal of Chemical Kinetics;2019-04-22

4. Investigation of the Abstraction and Dissociation Mechanism in the Nitrogen Trifluoride Channels: Combined Post-Hartree–Fock and Transition State Theory Approaches;The Journal of Physical Chemistry A;2016-07-06

5. Kinetic Mechanism Study of Reaction C2H + C2H2via TST;Revista Virtual de Química;2016