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Publications - 36Publications (36)
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ArticlesSpontaneous Generation of Aryl Carbocations from Phenols in Aqueous Microdroplets: Aromatic SN1 Reactions at the Air-Water Interface2023 | American Chemical Society- ArticlesMolecular-level understanding of the rovibrational spectra of N2O in gaseous, supercritical and liquid SF6and Xe2023 | American Institute of Physics Inc.
- ArticlesLow-temperature kinetics for the N + NO reaction: experiment guides the way2023 | Royal Society of Chemistry
- ArticlesRapid Molecular Evaluation of Human Kidney Tissue Sections by In Situ Mass Spectrometry and Machine Learning to Classify the Nephrotic Syndrome2023 | American Chemical Society
- ArticlesHigh-resolution electronic and vibrational spectroscopy of small-to-medium sized molecules with ab initio potential energy surface2023 | Institute of Physics
- ArticlesMass Spectrometry Imaging of Lumpectomy Specimens Deciphers Diacylglycerols as Potent Biomarkers for the Diagnosis of Breast Cancer2023 | American Chemical Society
- ArticlesMachine learning product state distributions from initial reactant states for a reactive atom-diatom collision system2022 | American Institute of Physics Inc.
- ArticlesQuantum and quasiclassical dynamical simulations for the Ar2H+on a new global analytical potential energy surface2021 | American Institute of Physics Inc.
- ArticlesThe C(3P) + O2(3Σg-) → CO2↔ CO(1Σ+) + O(1D)/O(3P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K2021 | Royal Society of Chemistry
- ArticlesQuantum and Classical Dynamics of the N(2D) + N2Reaction on Its Ground Doublet State N3(12A″) Potential Energy Surface2021 | American Chemical Society
- ArticlesMachine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions2020 | American Chemical Society
- ArticlesFormation and Stabilization of Ground and Excited-State Singlet O2 upon Recombination of 3P Oxygen on Amorphous Solid Water2020 | American Chemical Society
- ArticlesAccurate reproducing kernel-based potential energy surfaces for the triplet ground states of N2O and dynamics for the N + NO ↔ O + N2and N2+ O → 2N + O reactions2020 | Royal Society of Chemistry
- ArticlesMachine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNet2020 | American Chemical Society
- ArticlesPermutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone2020 | American Chemical Society
- ArticlesN3+: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics2020 | American Institute of Physics Inc.
- ArticlesThe N(4S) + O2(X3Σ - G) ↔ O(3P) + NO(X2Π) reaction: Thermal and vibrational relaxation rates for the 2A′, 4A′ and 2A′′ states2020 | Royal Society of Chemistry
- ReviewsHigh-dimensional potential energy surfaces for molecular simulations: From empiricism to machine learning2020 | IOP Publishing Ltd
