A theoretical study of the NCN (3Σ−) biradical thermochemical properties: Implications for combustion chemistry
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference87 articles.
1. NOx Formation in Natural Gas CombustionEvaluation of Simplified Reaction Schemes for CFD Calculations
2. Formation of nitric oxide in premixed hydrocarbon flames
3. The spin-conserved reaction CH+N2→H+NCN: A major pathway to prompt no studied by quantum/statistical theory calculations and kinetic modeling of rate constant
4. The CH+N2 reaction over the ground electronic doublet potential energy surface: a detailed transition state search
5. NO prediction in natural gas flames using GDF-Kin®3.0 mechanism NCN and HCN contribution to prompt-NO formation
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1. The story of NCN as a key species in prompt-NO formation;Progress in Energy and Combustion Science;2021-11
2. Theoretical investigation of thermochemical properties of cesium borates species;Journal of Nuclear Materials;2019-04
3. High-accuracy extrapolated ab initio thermochemistry of the NCN radical;Chemical Physics Letters;2018-08
4. Modeling nitrogen chemistry in combustion;Progress in Energy and Combustion Science;2018-07
5. Theoretical investigation of intersystem crossing in the cyanonitrene molecule, 1NCN → 3NCN;The Journal of Chemical Physics;2017-08-28
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