The Journal of Physical Chemistry A
Journal · American Chemical Society · ISSN 1089-5639
42,468 papers · 1,404,653 citations · h-index 284 · impact 3.1
Most-cited articles by yearJournal websiteOpenAlexAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesPhotochemistry and Electron Transfer StudiesAdvanced Physical and Chemical Molecular InteractionsMolecular Spectroscopy and StructureAtomic and Molecular Physics
Latest papers
- Characterization of Three Positional Isomers Adopted by the Monohydrated 4-Aminobenzoic Acid O-Protomer Using Two-Color, IR-IR Photobleaching of the H2-Tagged Ions and Electronic Structure TheoryErica L. Bocanegra, Yarra Hassan, Hyun Wook Choi et al. · The Journal of Physical Chemistry A · 2026
- Metal-Ion-Mediated Spin Coupling in Nitronyl Nitroxide Systems: From Superexchange to 4f Electron–Radical InteractionsXinyu Li, Lingli Shi, Jiarou Liu et al. · The Journal of Physical Chemistry A · 2026
- Microhydration of Methylated Pyrazoles and Imidazoles: Robust Vibrational Resonances in Red-Shifted WaterFinn Knüppe, Eaindra Lwin, Martin A. Suhm · The Journal of Physical Chemistry A · 2026
- Exploring the Energy Landscape of Hydroxide–Water ComplexesChenrui Shao, Greta M. Jacobson, Anne B. McCoy · The Journal of Physical Chemistry A · 2026
- Mayer’s Effective Minimal Localized Molecular OrbitalsÁgnes Szabados, Péter R. Śurján · The Journal of Physical Chemistry A · 2026
- Excited-State Intramolecular Proton Transfer: A TD-DFT Study of the Delayed Fluorescence Mechanism in TriquinolonobenzeneYuhui Liu, Mai-Ning Li, Si-Ying Lu et al. · The Journal of Physical Chemistry A · 2026
- Quasiclassical Trajectory Study of NH(3Σ–) + NH(3Σ–) Reactive Collisions: The Role of Vibrational EnergyDelvany G. de Castro, Lucas W.S. Crispim, Maikel Yusat Ballester · The Journal of Physical Chemistry A · 2026
- Machine-Learned Probability Landscapes Reveal Charge-Controlled Structural Motifs in Gold NanoclustersGabriel Reynald Da Silva, Mousa Salah, Milene M. Machado et al. · The Journal of Physical Chemistry A · 2026
Most cited
- Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent ModelVincenzo Barone, Maurizio Cossi · The Journal of Physical Chemistry A · 199810,163cited
- ReaxFF: A Reactive Force Field for HydrocarbonsAdri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 20016,437cited
- Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 KPekka Mark, Lennart Nilsson · The Journal of Physical Chemistry A · 20014,601cited
- Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis SetsVolker L. Deringer, Andrei L. Tchougréeff, Richard Dronskowski · The Journal of Physical Chemistry A · 20113,353cited
- Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 AtomsDavid J. Wales, Jonathan P. K. Doye · The Journal of Physical Chemistry A · 19973,030cited
- An Evaluation of Harmonic Vibrational Frequency Scale FactorsJeffrey P. Merrick, Damian Moran, Leo Radom · The Journal of Physical Chemistry A · 20072,734cited
- ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon OxidationKimberly Chenoweth, Adri C. T. van Duin, William A. Goddard · The Journal of Physical Chemistry A · 20082,717cited
- Refinement and Parametrization of COSMO-RSAndreas Klamt, Volker Jonas, Thorsten Bürger et al. · The Journal of Physical Chemistry A · 19981,999cited
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