Items where Author is "Bemish, Raymond J."

2022

Veliz, Juan Carlos San Vicente and Arnold, Julian and Bemish, Raymond J. and Meuwly, Markus. (2022) Combining Machine Learning and Spectroscopy to Model Reactive Atom + Diatom Collisions. Journal of Physical Chemistry A, 126 (43). pp. 7971-7980.

Goswami, Sugata and Veliz, Juan Carlos San Vicente and Upadhyay, Meenu and Bemish, Raymond J. and Meuwly, Markus. (2022) Quantum and quasi-classical dynamics of the C(3P) + O2(3Σ −g) → CO(1Σ+) + O(1D) reaction on its electronic ground state. Physical Chemistry Chemical Physics, 24 (38). pp. 23309-23322.

2021

Arnold, Julian and San Vicente Veliz, Juan Carlos and Koner, Debasish and Singh, Narendra and Bemish, Raymond J. and Meuwly, Markus. (2021) Machine Learning Product State Distributions from Initial Reactant States for a Reactive Atom-Diatom Collision System. Journal of Chemical Physics, 156 (3). 034301.

Veliz, Juan Carlos San Vicente and Koner, Debasish and Schwilk, Max and Bemish, Raymond J. and Meuwly, Markus. (2021) The C(P-3) + O-2((3)sigma(-)(g)) -> CO2 CO((1)sigma(+)) + O(D-1)/O(P-3) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K. Physical Chemistry Chemical Physics, 23 (19). pp. 11251-11263.

2020

Koner, Debasish and San Vicente Veliz, Juan Carlos and Bemish, Raymond J. and Meuwly, Markus. (2020) Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N; 2; O and dynamics for the N + NO ↔ O + N; 2; and N; 2; + O → 2N + O reactions. Physical Chemistry Chemical Physics, 22 (33). pp. 18257-18260.

Koner, Debasish and Bemish, Raymond J. and Meuwly, Markus. (2020) Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics. The Journal of Physical Chemistry A, 124 (31). pp. 6255-6269.

Arnold, Julian and Koner, Debasish and Kaeser, Silvan and Singh, Narendra and Bemish, Raymond J. and Meuwly, Markus. (2020) Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions. Journal of Physical Chemistry A, 124 (35). pp. 7177-7190.

San Vicente Veliz, Juan Carlos and Koner, Debasish and Schwilk, Max and Bemish, Raymond J. and Meuwly, Markus. (2020) The N(4S) + O2(X3Sigma) O(3P) + NO(X2Pi) reaction: thermal and vibrational relaxation rates for the 2A', 4A' and 2A'' states. Physical Chemistry Chemical Physics, 22 (7). pp. 3927-3939.

2019

Koner, Debasish and Unke, Oliver T. and Boe, Kyle and Bemish, Raymond J. and Meuwly, Markus. (2019) Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation. Journal of Chemical Physics, 150 (21). p. 211101.

2018

El Hage, Krystel and Bemish, Raymond J. and Meuwly, Markus. (2018) From in silica to in silico: retention thermodynamics at solid-liquid interfaces. Physical Chemistry Chemical Physics, 20 (27). pp. 18610-18622.

Koner, Debasish and Bemish, Raymond J. and Meuwly, Markus. (2018) The C(3P) + NO(X2Π) → O(3P) + CN(X2Σ+), N(2D)/N(4S) + CO(X1Σ+) reaction: Rates, branching ratios, and final states from 15 K to 20 000 K. Journal of Chemical Physics, 149 (9). 094305.

2017

Denis-Alpizar, Otoniel and Bemish, Raymond J. and Meuwly, Markus. (2017) Communication: Vibrational relaxation of CO(1Σ) in collision with Ar(1S) at temperatures relevant to the hypersonic flight regime. Journal of Chemical Physics, 146 (11). p. 111102.

Denis-Alpizar, Otoniel and Unke, Oliver T. and Bemish, Raymond J. and Meuwly, Markus. (2017) Quantum and quasiclassical trajectory studies of rotational relaxation in Ar-N₂⁺ collisions. Physical Chemistry Chemical Physics, 19 (41). pp. 27945-27951.

Denis-Alpizar, Otoniel and Bemish, Raymond J. and Meuwly, Markus. (2017) Reactive collisions for NO((2)Π) + N((4)S) at temperatures relevant to the hypersonic flight regime. Physical Chemistry Chemical Physics, 19 (3). pp. 2392-2401.

2016

Unke, Oliver T. and Castro-Palacio, Juan Carlos and Bemish, Raymond J. and Meuwly, Markus. (2016) Collision-induced rotational excitation in N2 (+)((2)Σg (+),v=0)-Ar: Comparison of computations and experiment. Journal of Chemical Physics, 144 (22). p. 224307.

2015

Castro-Palacio, Juan Carlos and Bemish, Raymond J. and Meuwly, Markus. (2015) Communication: Equilibrium rate coefficients from atomistic simulations: The O((3)P) + NO((2)Π) → O2(X(3)Σg(-)) + N((4)S) reaction at temperatures relevant to the hypersonic flight regime. Journal of Chemical Physics, 142 (9). 091104.

2014

Castro-Palacio, Juan Carlos and Nagy, Tibor and Bemish, Raymond J. and Meuwly, Markus. (2014) Computational study of collisions between O(P-3) and NO((2)Pi) at temperatures relevant to the hypersonic flight regime. Journal of Chemical Physics, 141 (16). p. 164319.