Atmospheric Oxidation Kinetics of Monochloramine by Hydroxyl Radical, Carbonyl Oxide, and Sulfur Trioxide Catalyzed by Water
2026 · The Journal of Physical Chemistry A · 0 citations
Public academic profile
Donald G. Truhlar
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DG
Donald G. Truhlar
University of Minnesota
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesQuantum, superfluid, helium dynamicsPhotochemistry and Electron Transfer StudiesMachine Learning in Materials Science
1,865Works
226,359Citations
188h-index
1,372i10-index
Research publications
Recent works publicly associated with this researcher.
SHARC Release 4.1
2026 · Zenodo (CERN European Organization for Nuclear Research) · 0 citations
Reinventing Density Functional Theory with Machine Learning on Integral Features
2026 · Journal of Chemical Theory and Computation · 1 citations
Reinventing Density Functional Theory with Machine Learning on Integral Features
2026 · ChemRxiv · 0 citations
Dynamics of Electronically Inelastic and Reactive Collisions of O( <sup>1</sup> D) with N <sub>2</sub> Based on Machine-Learned Coupled Potential Energy Surfaces
2026 · Journal of Chemical Theory and Computation · 0 citations
COF26: A new on-top functional for multiconfiguration pair-density functional theory
2026 · arXiv (Cornell University) · 0 citations
FunctionalAgent: Towards end-to-end on-top functional design
2026 · ArXiv.org · 0 citations
Resolving the Structures of AlM2O4+ (M = Fe, Co) through Multireference Methods
2026 · ChemRxiv · 0 citations
New Framework for Multi-Electronic-State Dynamics and Its Validation for Photoisomerization of 1,3-Cyclohexadiene
2026 · Journal of Chemical Theory and Computation · 0 citations
Room‐Temperature Gas‐Phase CO <sub>2</sub> ‐to‐C <sub>3</sub> Coupling by a 4 <i>f</i> ‐Aromatic Cluster
2026 · Angewandte Chemie · 0 citations
Room‐Temperature Gas‐Phase CO <sub>2</sub> ‐to‐C <sub>3</sub> Coupling by a 4 <i>f</i> ‐Aromatic Cluster
2026 · Angewandte Chemie International Edition · 0 citations
Nonadiabatic Direct Dynamics Simulation of Photoinduced Isomerization of Cubic Hydrogen Silsesquioxane
2026 · Journal of Chemical Theory and Computation · 1 citations
PpF: a density functional fine-tuned for noncovalent interactions of protein and peptide residues
2026 · Chemical Science · 0 citations
Aldehyde cool-flame chemistry explains a missing source of organic acids
2025 · Nature Communications · 1 citations
Linearized Pair-Density Functional Theory with Spin–Orbit Coupling
2025 · Journal of Chemical Theory and Computation · 3 citations
Hydrogenation of ethylene over molybdenum–sulfur complexes supported on UiO-66
2025 · Physical Chemistry Chemical Physics · 0 citations
Linearized Pair-Density Functional Theory with Spin-Orbit Coupling
2025 · ChemRxiv · 1 citations
MC25: An Accurate Meta Pair-Density Functional for Multiconfiguration Pair-Density Functional Theory and Linearized Pair-Density Functional Theory
2025 · Journal of Chemical Theory and Computation · 7 citations
Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory
2025 · The Journal of Physical Chemistry Letters · 1 citations
Linearized Pair-Density Functional Theory with Spin-Orbit Coupling
2025 · ChemRxiv · 0 citations