Journal of Physical Chemistry A

Papers
(The H4-Index of Journal of Physical Chemistry A is 39. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-05-01 to 2026-05-01.)
ArticleCitations
Hydration of 3-Methyl-1,2,3-butanetricarboxylic Acid Evidenced by Matrix-Isolation Infrared Spectroscopy401
Theoretical Investigation of the Laser-Induced Ionization–Fragmentation Dynamics of H2 Associated with Ionization Timings189
Mechanism and Selectivity of Iron-Catalyzed [4+2] Cycloadditions of Unactivated Dienes: A Computational Study83
Structural and Chemical Bonding Properties of AuS2H0/–: A Photoelectron Velocity-Map Imaging Spectroscopic and Theoretical Study75
Kinetics of O3 with Ca+ and Its Higher Oxides CaOn+ (n = 1–3) and Updates to a Model of Meteoric Calcium in the Mesosphere and Lower Thermosph63
Imaging the Mode-Specificity in Cl + CH3D(v1-I, v1-II, v4 = 1; |jK⟩ = |10⟩) → CH2D(41) + HCl(v)63
A Tale of Two Tails: Rotational Spectroscopy of N-Ethyl Maleimide and N-Ethyl Succinimide61
Theoretical Study of the Temperature- and Pressure-Dependent Rate Constants for Nine Reactions between COn (n = 0–4), Om (m = 1–3), C2O, an61
Relativistic Segmented Correlation Consistent Basis Sets for the 5p and 6p Elements58
Tuning Intermolecular Interactions for Chiral Analysis: The Microwave Spectra and Molecular Structures of the Chiral Tag Candidates cis- and trans-2-Fluoro-3-(trifluoromethyl)oxirane and58
Attosecond Rescattering of Laser-Assisted Electron–Proton Collision in Coulomb Potential55
In Search of Entangled Singlet Pure Diradicals52
Ro-Vibrational Spectrum of Vanadium Monoxide (VO) at 10 μm52
High-Level Coupled-Cluster Study on Substituent Effects in H2Activation by Low-Valent Aluminyl Anions51
Mechanism and Chemoselectivity of Small Molecule (CO 2 , t 50
Unraveling the Aromatic Rule of Cyclic Superatomic Molecules in π-Conjugated Compounds50
Theoretical Study on the Coordination and Separation Capacity of Macrocyclic N-Donor Extractants for Am(III)/Eu(III)50
How Does Microsolvation of Protonated Methanol Clusters by Aprotic Molecules Converge to Solvation in Solutions?: Infrared Spectroscopy of H + (Metha50
The 235–360 GHz Rotational Spectrum of 1-Oxaspiro[2.5]octa-4,7-dien-6-one─Analysis of the Ground Vibrational State and Its 10 Lowest-Energy Vibrationally Excited States49
Carbon-Atom Exchange between [MC2]+ (M = Os and Ir) and Methane: on the Thermodynamic and Dynamic Aspects49
Autobiography of Gustavo E. Scuseria47
Microsolvation-Driven Hours-Long Spectral Dynamics in Phenoxazine Dyes45
Triplet States of Cyanostar and Its Anion Complexes44
Global and Full-Dimensional Potential Energy Surfaces of the N2 + O2 Reaction for Hyperthermal Collisions43
Kinetics and Product Branching in Dihydrogen Activation by Gaseous Manganese Monoxide Cations43
Ground State Energy Is Not Always Convex in the Number of Electrons42
Characterizing the Interactions of Dimethyl Sulfoxide with Water: A Rotational Spectroscopy Study42
Dependence of Intramolecular Hydrogen Bond on Conformational Flexibility in Linear Aminoalcohols42
Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides41
Computational Insights into Tunable Reversible Network Materials: Accelerated ReaxFF Kinetics of Furan-Maleimide Diels–Alder Reactions for Self-Healing and Recyclability41
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region40
“On-the-Fly” Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation40
Potentials of Mean Force and Solvent Effects of the CN + CH3X (X = F, Cl, Br, and I) Reactions by the N-Side Attack in Aqueous Solution40
AllenDigger, a Tool for Spatial Expression Data Visualization, Spatial Heterogeneity Delineation, and Single-Cell Registration Based on the Allen Brain Atlas40
N-Carbazolyl π-Radical and Its Antiaromatic Nitrenium Ion: A Threshold Photoelectron Spectroscopic Study39
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework39
Excited-State Aromaticity Reversals in Naphthalene and Anthracene39
Formamidinium Halide Perovskite and Carbon Nitride Thin Films Enhance Photoreactivity under Visible Light Excitation39
Weakly Bound Complexes of γ-Butyrolactone with Water as Observed in Matrix Isolation FTIR and Theoretical Calculations39
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