2020
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| 1. | D. Koner; J. C. San Vicente Veliz; R. J. Bemish; M. Meuwly Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of N2O and Dynamics for the N+NO↔O+N2 and N2+O→2N+O Reactions Journal Article In: PCCP, vol. 22, pp. 18488-18498, 2020. @article{MM.koner.pccp:2020,
title = {Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of N2O and Dynamics for the N+NO↔O+N2 and N2+O→2N+O Reactions},
author = {D. Koner and J. C. San Vicente Veliz and R. J. Bemish and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {PCCP},
volume = {22},
pages = {18488-18498},
keywords = {Hypersonics, N2O, RKHS},
pubstate = {published},
tppubtype = {article}
}
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| 2. | D. Koner; R. J. Bemish; M. Meuwly Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics Journal Article In: J. Phys. Chem. A, vol. 124, pp. 6255–6269, 2020. @article{MM.koner.jpca:2020,
title = {Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics},
author = {D. Koner and R. J. Bemish and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {J. Phys. Chem. A},
volume = {124},
pages = {6255–6269},
keywords = {Hypersonics, machine learning, MD, Reactions},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | J. C. San Vicente Veliz; D. Koner; R. J. Bemish; M. Meuwly The N( 4 S) + O 2 (X 3 Σ g ) -> O( 3 P) + NO(X 2 Π) Reaction: Thermal and Vibrational Relaxation Rates for the 2 A' , 4 A' and 2 A'' States Journal Article In: PCCP, vol. 22, pp. 3927-3939, 2020. @article{MM.sanvicenteveliz.pccp:2020,
title = {The N( 4 S) + O 2 (X 3 Σ g ) -> O( 3 P) + NO(X 2 Π) Reaction: Thermal and Vibrational Relaxation Rates for the 2 A' , 4 A' and 2 A'' States},
author = {J. C. San Vicente Veliz and D. Koner and R. J. Bemish and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {PCCP},
volume = {22},
pages = {3927-3939},
keywords = {Hypersonics, NO2, thermal rates, vibrational relaxation},
pubstate = {published},
tppubtype = {article}
}
|
2019
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| 4. | D. Koner; O. T. Unke; K. Boe; R. J. Bemish; M. Meuwly Exhaustive State-to-State Cross Sections for Reactive Molecular Collisions from Importance Sampling Simulation and a Neural Network Representation Journal Article In: J. Chem. Phys., vol. 150, pp. 211101, 2019. @article{MM.koner.jcp:2019,
title = {Exhaustive State-to-State Cross Sections for Reactive Molecular Collisions from Importance Sampling Simulation and a Neural Network Representation},
author = {D. Koner and O. T. Unke and K. Boe and R. J. Bemish and M. Meuwly},
year = {2019},
date = {2019-01-01},
journal = {J. Chem. Phys.},
volume = {150},
pages = {211101},
keywords = {Hypersonics, Machine Lerning, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
2017
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| 5. | O. Denis-Alpizar; R. J. Bemish; O. T. Unke; M. Meuwly Communication: Vibrational Relaxation of CO(1Σ) in Collision with Ar(1S) at Temperatures Relevant to the Hypersonic Flight Regime Journal Article In: J. Chem. Phys., vol. 146, pp. 111102, 2017. @article{MM.denisalpizar.jcp:2017,
title = {Communication: Vibrational Relaxation of CO(1Σ) in Collision with Ar(1S) at Temperatures Relevant to the Hypersonic Flight Regime},
author = {O. Denis-Alpizar and R. J. Bemish and O. T. Unke and M. Meuwly},
year = {2017},
date = {2017-01-01},
journal = {J. Chem. Phys.},
volume = {146},
pages = {111102},
keywords = {Hypersonics, vibrational relaxation},
pubstate = {published},
tppubtype = {article}
}
|
| 6. | O. Denis-Alpizar; R. J. Bemish; M. Meuwly Reactive Collisions for NO((II)-I-2) + N(S-4) at Temperatures Relevant to the Hypersonic Flight Regime Journal Article In: PCCP, vol. 19, pp. 2392-2401, 2017. @article{MM.denisalpizar.pccp:2017,
title = {Reactive Collisions for NO((II)-I-2) + N(S-4) at Temperatures Relevant to the Hypersonic Flight Regime},
author = {O. Denis-Alpizar and R. J. Bemish and M. Meuwly},
year = {2017},
date = {2017-01-01},
journal = {PCCP},
volume = {19},
pages = {2392-2401},
keywords = {Hypersonics, N2O, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
2015
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| 7. | J. C. Castro-Palacio; R. J. Bemish; M. Meuwly Equilibrium Rate Coefficients from Atomistic Simulations: the O(3P) + NO(2Π) -> O2(Σ-g ) + O(4S) Reaction at Temperatures Relevant to the Hypersonic Flight Regime Journal Article In: J. Chem. Phys., vol. 142, pp. 091104, 2015. @article{MM.castropalacio.jcp:2015,
title = {Equilibrium Rate Coefficients from Atomistic Simulations: the O(3P) + NO(2Π) -> O2(Σ-g ) + O(4S) Reaction at Temperatures Relevant to the Hypersonic Flight Regime},
author = {J. C. Castro-Palacio and R. J. Bemish and M. Meuwly},
year = {2015},
date = {2015-01-01},
journal = {J. Chem. Phys.},
volume = {142},
pages = {091104},
keywords = {Atomistic Simulations, Hypersonics},
pubstate = {published},
tppubtype = {article}
}
|
