| High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning OT Unke, D Koner, S Patra, S Käser, M Meuwly Machine Learning: Science and Technology 1 (1), 013001, 2020 | 73 | 2020 |
| Long-range versus short-range effects in cold molecular ion-neutral collisions AD Dörfler, P Eberle, D Koner, M Tomza, M Meuwly, S Willitsch Nature communications 10 (1), 5429, 2019 | 71 | 2019 |
| 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 D Koner, RJ Bemish, M Meuwly The Journal of chemical physics 149 (9), 2018 | 59 | 2018 |
| Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation D Koner, OT Unke, K Boe, RJ Bemish, M Meuwly The Journal of chemical physics 150 (21), 2019 | 51 | 2019 |
| Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone D Koner, M Meuwly Journal of Chemical Theory and Computation 16 (9), 5474–5484, 2020 | 50 | 2020 |
| 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 D Koner, JC San Vicente Veliz, RJ Bemish, M Meuwly Phys. Chem. Chem. Phys. 22 (33), 18488-18498, 2020 | 43 | 2020 |
| Near dissociation states for H 2+–He on MRCI and FCI potential energy surfaces D Koner, JCSV Veliz, A van der Avoird, M Meuwly Physical Chemistry Chemical Physics 21 (45), 24976-24983, 2019 | 40 | 2019 |
| Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics D Koner, SM Salehi, P Mondal, M Meuwly The Journal of chemical physics 153 (1), 2020 | 33 | 2020 |
| Machine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNet S Käser, D Koner, AS Christensen, OA von Lilienfeld, M Meuwly The Journal of Physical Chemistry A 124 (42), 8853-8865, 2020 | 32 | 2020 |
| The N (4S)+ O2 (X3Sigma) O (3P)+ NO (X2Pi) reaction: thermal and vibrational relaxation rates for the 2A', 4A'and 2A''states JC San Vicente Veliz, D Koner, M Schwilk, RJ Bemish, M Meuwly Physical Chemistry Chemical Physics 22 (7), 3927-3939, 2020 | 31 | 2020 |
| Spontaneous Generation of Aryl Carbocations from Phenols in Aqueous Microdroplets: Aromatic SN1 Reactions at the Air–Water Interface A Nandy, A Kumar, S Mondal, D Koner, S Banerjee Journal of the American Chemical Society 145 (29), 15674-15679, 2023 | 24 | 2023 |
| Vibrational Spectroscopy of N3– in the Gas and Condensed Phase SM Salehi, D Koner, M Meuwly The Journal of Physical Chemistry B 123 (15), 3282-3290, 2019 | 23 | 2019 |
| Scattering study of the Ne+ NeH+ (v= 0, j= 0)→ NeH++ Ne reaction on an ab initio based analytical potential energy surface D Koner, L Barrios, T González-Lezana, AN Panda The Journal of chemical physics 144 (3), 2016 | 22 | 2016 |
| Wave packet and statistical quantum calculations for the He+ NeH+→ HeH++ Ne reaction on the ground electronic state D Koner, L Barrios, T González-Lezana, AN Panda The Journal of Chemical Physics 141 (11), 2014 | 22 | 2014 |
| The C (3 P)+ O 2 (3 Σ g−)→ CO 2↔ CO (1 Σ+)+ O (1 D)/O (3 P) reaction: thermal and vibrational relaxation rates from 15 K to 20000 K JCSV Veliz, D Koner, M Schwilk, RJ Bemish, M Meuwly Physical Chemistry Chemical Physics 23 (19), 11251-11263, 2021 | 21 | 2021 |
| Machine learning product state distributions from initial reactant states for a reactive atom–diatom collision system J Arnold, JC San Vicente Veliz, D Koner, N Singh, RJ Bemish, M Meuwly The Journal of Chemical Physics 156 (3), 2022 | 20 | 2022 |
| Dynamics on multiple potential energy surfaces: Quantitative studies of elementary processes relevant to hypersonics D Koner, RJ Bemish, M Meuwly The Journal of Physical Chemistry A 124 (31), 6255-6269, 2020 | 20 | 2020 |
| State-to-State Dynamics of the Ne + HeH+ (v = 0, j = 0) → NeH+(v′, j′) + He Reaction D Koner, L Barrios, T González-Lezana, AN Panda The Journal of Physical Chemistry A 120 (27), 4731-4741, 2016 | 19 | 2016 |
| Quantum Dynamical Study of the He + NeH+ Reaction on a New Analytical Potential Energy Surface D Koner, AN Panda The Journal of Physical Chemistry A 117 (49), 13070-13078, 2013 | 19 | 2013 |
| 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 JCSV Veliz, D Koner, M Schwilk, RJ Bemish, M Meuwly Physical Chemistry Chemical Physics 22 (7), 3927-3939, 2020 | 18 | 2020 |
M MeuwlyUniversity of BaselBestätigte E-Mail-Adresse bei unibas.ch
