Ab initio molecular orbital study of potential energy surface for the H2NO(2B1)→NO(2Π)+H2 reaction
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference27 articles.
1. Mechanism and modeling of nitrogen chemistry in combustion
2. Nitramine propellant ignition and combustion research
3. Configuration interation calculations of structures, vibrational frequencies, and heats of formation for HHNO species
4. Ab initio variational transition‐state‐theory reaction‐rate calculations for the gas‐phase reaction H+HNO→H2+NO
5. Radical addition to HNO. Ab initio reaction path and variational transition state theory calculations for H+HNO→H2NO and H+HNO→HNOH
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1. Theoretical Kinetics Predictions for Reactions on the NH2O Potential Energy Surface;The Journal of Physical Chemistry A;2023-10-09
2. Probing the gas-phase oxidation of ammonia: Addressing uncertainties with theoretical calculations;Combustion and Flame;2022-01
3. 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
4. Quasiclassical Trajectory Calculations of the N(2D) + H2O Reaction Elucidating the Formation Mechanism of HNO and HON Seen in Molecular Beam Experiments;The Journal of Physical Chemistry Letters;2014-10-01
5. A Global Potential Energy Surface Describing the N(2D) + H2O Reaction and a Quasiclassical Trajectory Study of the Reaction to NH + OH;The Journal of Physical Chemistry A;2014-01-14
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