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The Journal of Physical Chemistry. A|December 19, 2022
πσ*-Mediated Nonadiabatic Tunneling Dynamics of Thiophenols in S1: The Semiclassical ApproachesJunggil Kim, Kyung Chul Woo, Kuk Ki Kim, et al.
The Journal of Physical Chemistry. A|June 13, 2022
Nitric Oxide Decomposition via Selective Catalytic Reduction by Ammonia on a Transition-Metal Cluster of W2TcO6Rathawat Daengngern, Kittikorn Kaewprasong
The Journal of Physical Chemistry. A|June 14, 2022
Conformational Changes Induced by Methyl Side-Chains in Protonated Tripeptides Containing Glycine and Alanine ResiduesSummer L Sherman, Kaitlyn C Fischer, Etienne Garand
The Journal of Physical Chemistry. A|June 2, 2022
Control and Modulation of Photoinduced Charge Transfer in a Rigid Donor-Bridge-Acceptor System by Electric FieldsSiyuan Zhu, Dawei Kang, Zhiyu Liu, et al.
The Journal of Physical Chemistry. A|June 2, 2022
Reaction Entropies in Solution from Analytical Three-Dimensional Reference Interaction Site Model Derivatives with Application to Redox and Spin-Crossover ProcessesMarc Reimann, Martin Kaupp
The Journal of Physical Chemistry. A|June 6, 2022
Magnetic Characterization of the Infinitene MoleculeGuglielmo Monaco, Riccardo Zanasi, Francesco F Summa
The Journal of Physical Chemistry. A|June 6, 2022
In Situ Detection of Chemical Compositions at Nanodroplet Surfaces and In-Nanodroplet PhasesYuqin Qian, Jesse B Brown, Tong Zhang, et al.
The Journal of Physical Chemistry. A|June 7, 2022
Time-Lagged Flux in the Transition Path Ensemble: Flux Maximization and Relation to Transition Path TheoryWenjin Li
The Journal of Physical Chemistry. A|June 8, 2022
Multiconfiguration Pair-Density Functional Theory Calculations of Iron(II) Porphyrin: Effects of Hybrid Pair-Density Functionals and Expanded RAS and DMRG Active Spaces on Spin-State OrderingsGautam D Stroscio, Chen Zhou, Donald G Truhlar, et al.
The Journal of Physical Chemistry. A|June 8, 2022
Efficiency of Interstellar Nanodust Heating: Accurate Bottom-up Calculations of Nanosilicate Specific Heat CapacitiesJoan Mariñoso Guiu, Stefan T Bromley
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