R. Bemish

activity

20192021

collaborators

5 papers

physics.chem-ph2021

The C( $^{3}$ P) + O $_{2}$ ( $^{3} Σ_{g}^{-}$ ) $\leftrightarrow$ CO $_{2}$ $\leftrightarrow$ CO( $^{1} Σ^{+}$ )+ O( $^{1}$ D)/O( $^{3}$ P) Reaction: Thermal and Vibrational Relaxation Rates from 15 K to 20000 K

Juan Carlos San Vicente Veliz, Debasish Koner, Max Schwilk +2

Thermal rates for the C( $^{3}$ P) + O $_{2}$ ( $^{3} Σ_{g}^{-}$ ) $\leftrightarrow$ CO( $^{1} Σ^{+}$ )+ O( $^{1}$ D)/O( $^{3}$ P) reaction are investigated over a wide temperature range based on quasi classica…

physics.chem-ph2020

Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions

Julian Arnold, Debasish Koner, Silvan Käser +3

Machine learning-based models to predict product state distributions from a distribution of reactant conditions for atom-diatom collisions are presented and quantitatively tested.…

physics.chem-ph2020

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

Debasish Koner, Raymond J. Bemish, Markus Meuwly

The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energ…

physics.chem-ph2020

Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of N $_{2}$ O and Dynamics for the N+NO $\leftrightarrow$ O+N $_{2}$ and N $_{2}$ +O $\to$ 2N+O Reactions

Debasish Koner, Juan Carlos San Vicente Veliz, Raymond J. Bemish +1

Accurate potential energy surfaces (PESs) have been determined for the $^{3}$ A $^{'}$ and $^{3}$ A $^{''}$ states of N $_{2}$ O using electronic structure calculations at the multireference configu…

physics.chem-ph2019

The $N (^{4} S) + O_{2} (X^{3} Σ_{g}^{-}) \leftrightarrow O (^{3} P) + NO (X^{2} Π)$ Reaction: Thermal and Vibrational Relaxation Rates for the $^{2}$ A $^{'}$ , $^{4}$ A $^{'}$ and $^{2}$ A $^{''}$ States

Juan Carlos San Vicente Veliz, Debasish Koner, Max Schwilk +2

The kinetics and vibrational relaxation of the $N (^{4} S) + O_{2} (X^{3} Σ_{g}^{-}) \leftrightarrow O (^{3} P) + NO (X^{2} Π)$ reaction is investigated over a wide temperature ra…

The C(3P) + O2​(3Σg−​) ↔ CO2​ ↔ CO(1Σ+)+ O(1D)/O(3P) Reaction: Thermal and Vibrational Relaxation Rates from 15 K to 20000 K

Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of N2​O and Dynamics for the N+NO↔O+N2​ and N2​+O→2N+O Reactions

The N(4S)+O2​(X3Σg−​)↔O(3P)+NO(X2Π) Reaction: Thermal and Vibrational Relaxation Rates for the 2A′, 4A′ and 2A′′ States

The C( $^{3}$ P) + O $_{2}$ ( $^{3} Σ_{g}^{-}$ ) $\leftrightarrow$ CO $_{2}$ $\leftrightarrow$ CO( $^{1} Σ^{+}$ )+ O( $^{1}$ D)/O( $^{3}$ P) Reaction: Thermal and Vibrational Relaxation Rates from 15 K to 20000 K

Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of N $_{2}$ O and Dynamics for the N+NO $\leftrightarrow$ O+N $_{2}$ and N $_{2}$ +O $\to$ 2N+O Reactions

The $N (^{4} S) + O_{2} (X^{3} Σ_{g}^{-}) \leftrightarrow O (^{3} P) + NO (X^{2} Π)$ Reaction: Thermal and Vibrational Relaxation Rates for the $^{2}$ A $^{'}$ , $^{4}$ A $^{'}$ and $^{2}$ A $^{''}$ States