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High-accuracy DMBE potential energy surface for CNO( A ′ ′ 4 ) and the rate coefficients for the C + NO reaction in the A ′ 2 , A ′ ′ 2 , and A ′ ′ 4 states

Márcio O. Alves, Vinícius C. Mota, João P. Braga, António J. C. Varandas, Hua Guo, Breno R. L. Galvão

J. Chem. Phys. 159, 214307 (2023)

https://doi.org/10.1063/5.0180918

Published: December 2023

View article titled, High-accuracy DMBE potential energy surface for CNO( A ′ ′ 4 ) and the rate coefficients for the C + NO reaction in the A ′ 2 , A ′ ′ 2 , and A ′ ′ 4 states

Includes: Supplementary data

Journal Articles

The importance of O₃ excited potential energy surfaces in O₂–O high-temperature kinetics

Daniil A. Andrienko

J. Chem. Phys. 152, 044305 (2020)

https://doi.org/10.1063/1.5142191

Published: January 2020

View article titled, The importance of O3 excited potential energy surfaces in O2–O high-temperature kinetics

Journal Articles

Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C₃ radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions

C. M. R. Rocha, A. J. C. Varandas

J. Chem. Phys. 143, 074302 (2015)

https://doi.org/10.1063/1.4928434

Published: August 2015

View article titled, Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C3 radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions

Includes: Supplementary data

Journal Articles

Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H 3 +

Luís P. Viegas, Alexander Alijah, António J. C. Varandas

J. Chem. Phys. 126, 074309 (2007)

https://doi.org/10.1063/1.2566770

Published: February 2007

View article titled, Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H 3 +

Includes: Supplementary data

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Topics

High-accuracy DMBE potential energy surface for CNO( A ′ ′ 4 ) and the rate coefficients for the C + NO reaction in the A ′ 2 , A ′ ′ 2 , and A ′ ′ 4 states

The importance of O₃ excited potential energy surfaces in O₂–O high-temperature kinetics

Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C₃ radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions

Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H 3 +

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High-accuracy DMBE potential energy surface for CNO( A ′ ′ 4 ) and the rate coefficients for the C + NO reaction in the A ′ 2 , A ′ ′ 2 , and A ′ ′ 4 states

The importance of O3 excited potential energy surfaces in O2–O high-temperature kinetics

Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C3 radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions

Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H 3 +

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

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The importance of O₃ excited potential energy surfaces in O₂–O high-temperature kinetics

Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C₃ radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions