The Journal of Physical Chemistry A

Title Publication Date Language Citations
Autobiography of Marsha I. Lester2024/01/25English
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors2024/01/25English
Issue Editorial Masthead2024/01/25English
Enhancing Near-Infrared Absorption in Terpyridyl Ru/Os Complexes with Ancillary Ligands to Activate Spin-Forbidden Transitions in Dye-Sensitized Solar Cells: A TDDFT Investigation2024/01/25English
Antiaromatic Molecules as Magnetic Couplers: A Computational Quest2024/01/24English
Ab Initio Potential Energy Surface for NaCl–H2 with Correct Long-Range Behavior2024/01/25English
Scientific Deep Machine Learning Concepts for the Prediction of Concentration Profiles and Chemical Reaction Kinetics: Consideration of Reaction Conditions2024/01/25English
Spin-Adapted Externally Contracted Multireference Configuration Interaction Method Based on Selected Reference Configurations2024/01/25English
Rapid Atmospheric Reactions between Criegee Intermediates and Hypochlorous Acid2024/01/25English
Tribute to Marsha I. Lester2024/01/25English
Issue Publication Information2024/01/25English
Optical Absorption Properties in Pentacene/Tetracene Solid Solutions2024/01/17English
DFT Study on the Spin States of Polyaniline–3d Transition-Metal (Sc–Zn) Composites and Their Sensing Application to Detect Chemical Warfare Agents2024/01/17English
Photodissociation Dynamics of the [O2–H2O]+ Ionic Complex2023/06/29English
Issue Editorial Masthead2023/07/20English
Spectroscopic Properties of the Alkali–Krypton Diatomic M–Kr (M = Rb, Cs, and Fr) van der Waals Systems Including the Spin–Orbit Coupling2023/06/14English
Correction to “Atmospheric Chemistry of CH3OCF2CHF2”2023/06/14English
Theoretical Investigation on Atmospheric Chemistry of Nitryl Cyanide: A Novel Fluorine-Free Dielectric Gas2023/06/14English
Issue Editorial Masthead2023/07/13English
Computational Insights into the Influence of Ligands on Hydrogen Generation with [Cp*Rh] Hydrides2023/07/12English
Polyhedral Ferraboranes with Iron Carbonyl Vertices: Carbonyl Migration Processes in the Iron Tetracarbonyl Derivatives2023/07/11English
Tracking Isomerizations of High-Energy Adenine Cation Radicals by UV–Vis Action Spectroscopy and Cyclic Ion Mobility Mass Spectrometry2023/07/11English
A Spectroscopic Description of Asymmetric Isotopologues of CO22023/07/27English
Issue Editorial Masthead2023/07/27English
Issue Publication Information2023/07/27English
Temperature-Dependent Oxidation of Hydroxylated Aldehydes by •OH, SO4•–, and NO3• Radicals in the Atmospheric Aqueous Phase2023/07/27English
Ab Initio and Statistical Rate Theory Exploration of the CH (X2Π) + OCS Gas-Phase Reaction2023/07/28English
Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [n]Paracyclophanes2023/07/28English
Limitations on the D-Parameter in Ni(II) Complexes2023/07/26English
Pt+(C2H2)n Complexes Studied with Selected-Ion Infrared Spectroscopy2023/06/27English