Items where Author is "Koner, Debasish"

2022

Patra, Sarbani and San Vicente Veliz, Juan Carlos and Koner, Debasish and Bieske, Evan J. and Meuwly, Markus. (2022) Photodissociation Dynamics of N⁺₃. Journal of Clinical Physics, 156. p. 124307.

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.

Pezzella, Marco and Koner, Debasish and Meuwly, Markus. (2020) Formation and Stabilization of Ground and Excited-State Singlet O-2 upon Recombination of P-3 Oxygen on Amorphous Solid Water. Journal of Physical Chemistry Letters, 11 (6). pp. 2171-2176.

Kaeser, Silvan and Koner, Debasish and Christensen, Anders S. and von Lilienfeld, O. Anatole and Meuwly, Markus. (2020) Machine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNet. Journal of Physical Chemistry A, 124 (42). pp. 8853-8865.

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.

Koner, Debasish and Schwilk, Max and Patra, Sarbani and Bieske, Evan J. and Meuwly, Markus. (2020) N-3(+): Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics. JOURNAL OF CHEMICAL PHYSICS, 153 (4). 044302.

Koner, Debasish and Salehi, Seyedeh Maryam and Mondal, Padmabati and Meuwly, Markus. (2020) Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics. Journal of Chemical Physics, 153 (1). p. 1.

Koner, Debasish and Meuwly, Markus. (2020) Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone. Journal of Chemical Theory and Computation, 16 (9). pp. 5474-5484.

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.

Dörfler, Alexander D. and Eberle, Pascal and Koner, Debasish and Tomza, Michał and Meuwly, Markus and Willitsch, Stefan. (2019) Long-range versus short-range effects in cold molecular ion-neutral collisions. Nature Communications, 10 (1). p. 5429.

Koner, Debasish and San Vicente Veliz, Juan Carlos and van der Avoird, Ad and Meuwly, Markus. (2019) Near dissociation states for H2+-He on MRCI and FCI potential energy surfaces. Physical Chemistry Chemical Physics, 21 (45). pp. 24976-24983.

Desmond, Jasmine L. and Koner, Debasish and Meuwly, Markus. (2019) Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy. Journal of Physical Chemistry B, 123 (30). pp. 6588-6598.

Salehi, Seyedeh Maryam and Koner, Debasish and Meuwly, Markus. (2019) Vibrational Spectroscopy of N-3(-) in the Gas and Condensed Phase. Journal of Physical Chemistry B, 123 (15). pp. 3282-3290.

2018

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.