Juan Carlos San Vicente Veliz

most citedAccurate 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}

\to

2N+O Reactions

41 citations · 64 across the 3 of their papers we have counts for

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physics.chem-ph2021★ 23 cited

Machine Learning Product State Distributions from Initial Reactant States for a Reactive Atom-Diatom Collision System

Julian Arnold, Juan Carlos San Vicente Veliz, Debasish Koner +3

A machine learned (ML) model for predicting product state distributions from specific initial states (state-to-distribution or STD) for reactive atom-diatom collisions is presented…

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★ 41 cited

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…

Machine Learning Product State Distributions from Initial Reactant States for a Reactive Atom-Diatom Collision System

The C(3P) + O2​(3Σg−​) ↔ CO2​ ↔ CO(1Σ+)+ O(1D)/O(3P) 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 N2​O and Dynamics for the N+NO↔O+N2​ and N2​+O→2N+O Reactions

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