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The Journal of Physical Chemistry. A|July 24, 2025
Quantifying the Decomposition Kinetics of Linear C2-C4 PerfluoroalkanesEduardo H Guzman, Caroline Rocchio, Keunsoo Kim, et al.
Chemical Science|June 24, 2021
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ringShivaiah Vaddypally, Vitaly G Kiselev, Alex N Byrne, et al.
Journal of Chemical Theory and Computation|September 25, 2023
Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella IntegrationSina Stocker, Hyunwook Jung, Gábor Csányi, et al.
Physical Chemistry Chemical Physics : PCCP|June 10, 2024
Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH3/Ni(111)Katrín Blöndal, Kirk Badger, Khachik Sargsyan, et al.
Inorganic Chemistry|January 23, 2024
Metal-Free Reversible Double Cyclization of Cyanuric Diazide to an Asymmetric Bitetrazolate via Cleavage of the Six-Membered Aromatic RingShivaiah Vaddypally, Alex N Byrne, C Franklin Goldsmith, et al.
Angewandte Chemie (International Ed. in English)|July 28, 2023
Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated UncertaintiesBjarne Kreitz, Patrick Lott, Felix Studt, et al.
The Journal of Physical Chemistry. A|May 16, 2015
Temperature and Pressure-Dependent Rate Coefficients for the Reaction of Vinyl Radical with Molecular OxygenC Franklin Goldsmith, Lawrence B Harding, Yuri Georgievskii, et al.
The Journal of Physical Chemistry. A|December 31, 2025
Operando Spectral Imaging of OH A2Σ+ → X2Π 1D Emission in Elevated-Pressure Nitromethane FlamesJoshua B Sinrud, Rachel A Schwind, Brahm N Dean, et al.
The Journal of Physical Chemistry. A|April 26, 2017
An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 IsomersJames P A Lockhart, C Franklin Goldsmith, John B Randazzo, et al.
The Journal of Physical Chemistry. A|February 15, 2017
Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and SimulationChong-Wen Zhou, John M Simmie, Kieran P Somers, et al.
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