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The Journal of Physical Chemistry. A|March 8, 2019
Diagnosing the Impact of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and PyrolysisChristopher D Fu, Yi He, Jim Pfaendtner
The Journal of Physical Chemistry. A|March 8, 2019
A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide PerovskitesMichael P Esch, Yinan Shu, Benjamin G Levine
The Journal of Physical Chemistry. A|March 9, 2019
OH-Initiated Reactions of p-Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part I. Potential Energy Surface Analysis ⊥Rubik Asatryan, Jason M Hudzik, Joseph W Bozzelli, et al.
The Journal of Physical Chemistry. A|March 9, 2019
A Better Understanding of the Unimolecular Dissociation Dynamics of Weakly Bound Aromatic Compounds at High Temperature: A Study on C6H6-C6F6 and Comparison with C6H6 DimerHimashree Mahanta, Daradi Baishya, Sk Samir Ahamed, et al.
The Journal of Physical Chemistry. A|January 22, 2021
VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of AlleneTina Mathea, Taras Petrenko, Guntram Rauhut
The Journal of Physical Chemistry. A|February 19, 2021
Photophysics of First-Generation Photomolecular Motors: Resolving Roles of Temperature, Friction, and Medium PolarityPalas Roy, Andy S Sardjan, Wojciech Danowski, et al.
The Journal of Physical Chemistry. A|February 25, 2021
Evaluation of Thermochemical Machine Learning for Potential Energy Curves and Geometry OptimizationDakota L Folmsbee, David R Koes, Geoffrey R Hutchison
The Journal of Physical Chemistry. A|February 25, 2021
First-Principles Reaction Dynamics beyond Six-Atom SystemsGábor Czakó, Tibor Győri, Dóra Papp, et al.
The Journal of Physical Chemistry. A|March 1, 2021
Quantum Mechanics/Molecular Mechanics Studies on the Photophysical Mechanism of Methyl SalicylateXue-Ping Chang, Teng-Shuo Zhang, Ye-Guang Fang, et al.
The Journal of Physical Chemistry. A|February 19, 2021
Spatial Contributions to Nuclear Magnetic ShieldingsRahul Kumar Jinger, Heike Fliegl, Radovan Bast, et al.
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