OOIR: Observatory of International Research

Papers

(The median citation count of Journal of Physical Chemistry A is 2. 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 2021-05-01 to 2025-05-01.)

Article	Citations
Issue Publication Information	182
Issue Publication Information	163
Issue Editorial Masthead	82
Global and Full-Dimensional Potential Energy Surfaces of the N₂ + O₂ Reaction for Hyperthermal Collisions	79
4n + 2 = 6n? A Geometrical Approach to Aromaticity?	66
Ab Initio Calculations of the Interaction Potential of the N₂O–N₂O Dimer: Strength of the Intermolecular Interactions and Physical Insights	64
Titanium Superoxide as a Carrier of a “Long-Lived” Superoxide Anion: An Ab Initio Investigation	56
Issue Publication Information	54
Issue Publication Information	54
Theoretical Study on the Coordination and Separation Capacity of Macrocyclic N-Donor Extractants for Am(III)/Eu(III)	47
Tribute to Paul L. Houston	45
Issue Publication Information	41
Issue Publication Information	41
A Tribute to Vincenzo Barone	40
Issue Publication Information	39
Issue Publication Information	39
Memorial Viewpoint for Nicholas A. Besley	38
Knowles Partitioning at the Multireference Level	37
Characterizing the Interactions of Dimethyl Sulfoxide with Water: A Rotational Spectroscopy Study	37
Resolving the Ambiguity of Thermal Reversion in a Nonconjugated Monocyclic Diene-Based Photoswitch for Rechargeable Solar Thermal Batteries	37
Atmospheric Chemistry of (E)- and (Z)-CF₃CF₂CH═CHCF₂CF₃ (HFO-153-10mczz): Kinetics and Mechanisms of the Reactions with Cl Atoms, OH Radicals,	37
Autobiography of Xueming Yang	37
Hydration of 3-Methyl-1,2,3-butanetricarboxylic Acid Evidenced by Matrix-Isolation Infrared Spectroscopy	35
Issue Editorial Masthead	35
Attosecond Rescattering of Laser-Assisted Electron–Proton Collision in Coulomb Potential	34

Ab Initio Structure and Dynamics of Beryllium Monofluoride and Its Anion	34
Triplet Rydberg States of Aluminum Monofluoride	34
Mass-Selected Infrared Photodissociation Spectroscopic and Theoretical Insights into Nitrobenzene Dimer Anion Tagged by Argon	33
Issue Editorial Masthead	32
Relativistic Segmented Correlation Consistent Basis Sets for the 5p and 6p Elements	32
Mechanism and Selectivity of Iron-Catalyzed [4+2] Cycloadditions of Unactivated Dienes: A Computational Study	32
Issue Publication Information	32
Multiconfigurational Correlation at DFT + U Cost: On-Site Electron–Electron Interactions Yield a Block-Localized Configuration Interaction Hamiltonian	31
Scaling Up Magnetic Nanobead Synthesis with Improved Stability for Biomedical Applications	30
Study of the Energy Crossing Between Excited States Affected by the Electronegativity of Substituents for Three 4-Azido-1,8-naphthalimide Derivatives	30
Kinetic Stability of Pentazole	30
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 and	30
Thermal Reactions of NiAl₃O₆⁺ and Al₄O₆⁺ with Methane: Reactivity Enhancement by Doping	29
AllenDigger, a Tool for Spatial Expression Data Visualization, Spatial Heterogeneity Delineation, and Single-Cell Registration Based on the Allen Brain Atlas	29
N-Carbazolyl π-Radical and Its Antiaromatic Nitrenium Ion: A Threshold Photoelectron Spectroscopic Study	29
Multiconfigurational Excitonic Couplings in Homo- and Heterodimer Stacks of Azobenzene-Derived Dyes	29
Single-Atom Doped Fullerene (MN₄–C₅₄) as Bifunctional Catalysts for the Oxygen Reduction and Oxygen Evolution Reactions	29
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 Solution	29
Generation of Highly Vibrationally Excited CO in Sequential Photodissociation of Iron Carbonyl Complexes	28
Microsolvation-Driven Hours-Long Spectral Dynamics in Phenoxazine Dyes	28
Simple and General Unitarity Conserving Numerical Real-Time Propagators of the Time-Dependent Schrödinger Equation Based on Magnus Expansion	28
Structural and Chemical Bonding Properties of AuS₂H^0/–: A Photoelectron Velocity-Map Imaging Spectroscopic and Theoretical Study	28
Ro-Vibrational Spectrum of Vanadium Monoxide (VO) at 10 μm	28
Effect of Intersystem Crossings on the Kinetics of Thermal Ion–Molecule Reactions: Ti⁺ + O₂, CO₂, and N₂O	28
Chondroitin Sulfate Disaccharides in the Gas Phase: Differentiation and Conformational Constraints	28
Ground State Energy Is Not Always Convex in the Number of Electrons	27
Electronic Control of the Position of the Pb Atom on the Surface of B₈ Borozene in the PbB₈ Cluster	27
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework	27
Outer Valence Photoionization and Autoionization of Formaldehyde	27
Kinetics of O₃ with Ca⁺ and Its Higher Oxides CaO_n⁺ (n = 1–3) and Updates to a Model of Meteoric Calcium in the Mesosphere and Lower Thermosph	27
Cu(II) Stability and UV-Induced Electron Transfer in a Metal–Organic Hybrid: An EPR, DFT, and Crystallographic Characterization of Copper-Doped Zinc Creatininium Sulfate	27
Machine Learning Models Capture Plasmon Dynamics in Ag Nanoparticles	27
Imaging the Mode-Specificity in Cl + CH₃D(v₁-I, v₁-II, v₄ = 1; \|jK⟩ = \|10⟩) → CH₂D(4₁) + HCl(v)	26
Theoretical Study of the Temperature- and Pressure-Dependent Rate Constants for Nine Reactions between CO_n (n = 0–4), O_m (m = 1–3), C₂O, an	26
Weakly Bound Complex Formation between HCN and CH₃Cl: A Matrix-Isolation and Computational Study	26
Benchmark Ab Initio Characterization of the Abstraction and Substitution Pathways of the Cl + CH₃CN Reaction	26
Formamidinium Halide Perovskite and Carbon Nitride Thin Films Enhance Photoreactivity under Visible Light Excitation	26
Correction to “Atmospheric Chemistry of CH₃OCF₂CHF₂”	26
Construction of the Largest Metal-Centered Double-Ring Tubular Boron Clusters Based on Actinide Metal Doping	26
Triplet States of Cyanostar and Its Anion Complexes	25
Inorganic Crystal Structure Prototype Database Based on Unsupervised Learning of Local Atomic Environments	25
Accurate Evaluation of Dispersion Energies at Coupled Cluster Level to Understand the Substituent Effects in Am(III) and Eu(III) Complexes	25
Ultraviolet Photodissociation Dynamics of the 1-Methylallyl Radical	25
Destructive Processing of Silicon Carbide Grains: Experimental Insights into the Formation of Interstellar Fullerenes and Carbon Nanotubes	25
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region	25
Versatile Femtosecond Laser Synchronization for Multiple-Timescale Transient Infrared Spectroscopy	25
MULTIMODE Calculations of Vibrational Spectroscopy and 1d Interconformer Tunneling Dynamics in Glycine Using a Full-Dimensional Potential Energy Surface	25
AtmoSpec–A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds	24
Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents	24
Contribution of Methanesulfonic Acid to the Formation of Molecular Clusters in the Marine Atmosphere	24

Dissecting the Molecular Origin of g-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus Theory	24
A Tale of Two Tails: Rotational Spectroscopy of N-Ethyl Maleimide and N-Ethyl Succinimide	24
Theoretical Study of Proton Tunneling in the Imidazole–Imidazolium Complex	24
Diabatic Potential Energy Surfaces of SrH₂⁺ and Dynamics Studies of the Sr⁺(5s²S) + H₂ Reaction	24
Comparison of Machine Learning Approaches for Prediction of the Equivalent Alkane Carbon Number for Microemulsions Based on Molecular Properties	24
Determining Factor of the Quantum Yield of the Cyclization Reaction via Triplet States for Dye-Attached Diarylethene	24
Spectroscopic Manifestations of Indirect Vibrational State Mixing: Novel Anharmonic Effects on a Prereactive H Atom Transfer Surface	24
Equilibrium and Dynamical Characteristics of Hydrogen Bond Bifurcations in Water–Water and Water–Ammonia Dimers: A Path Integral Molecular Dynamics Study	24
Contribution of Hyperconjugation and Inductive Effects to the Pseudo-anomeric Effect in 4-Substituted Methoxycyclohexanes	23
Theoretical Study of Decomposition Kinetics and Thermochemistry of Bis(dimethylamino)silane—Formation of Methyleneimine and Silanimine Species	23
Autobiography of Gustavo E. Scuseria	23
In Search of Entangled Singlet Pure Diradicals	23
High-Level Coupled-Cluster Study on Substituent Effects in H₂Activation by Low-Valent Aluminyl Anions	23
Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry	23
Experimental Confirmation of H₂O₂ Adsorption at the Water–Air Interface	23
Carbon-Atom Exchange between [MC₂]⁺ (M = Os and Ir) and Methane: on the Thermodynamic and Dynamic Aspects	22
Probing Photoionization Dynamics in Acetylene with Angle-Resolved Attosecond Interferometry	22
Enthalpy of the Cerium (Ce) Chemi-Ionization Reaction and CeO⁺, CeC⁺, and CeCO⁺ Bond Energies Determined by Energy-Resolved Guided Ion Beam Mass Spectrometry Experimen	22
Entropic Effects on the Aqueous Microsolvation of Protonated Glycine and Protonated β-Alanine. Hybrid Density Functional Theory Born–Oppenheimer Molecular Dynamics Studies	22
Cold Ion–Molecule Reactions in the Extreme Environment of a Coulomb Crystal	22
Ab Initio Potential Energy Surface for NaCl–H₂ with Correct Long-Range Behavior	22
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 States	22
Reaction Dynamics of NO⁺ with Water Clusters	22
Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water–Ice Grains	21
Dynamics Calculations of the Flexibility and Vibrational Spectrum of the Linear Alkane C₁₄H₃₀, Based on Machine-Learned Potentials	21
Excited-State Dynamics in 4-[4′(Dimethylamino)styryl]pyridine, a Photobase: Role of Photoinitiated Proton-Coupled Electron Transfer	21
Substituent Effects on Electride Characteristics of Mg₂(η⁵-C₅H₅)₂: A Theoretical Study	21
Issue Publication Information	21
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory	21
Quasi-Free Electron-Mediated Radiation Sensitization by C5-Halopyrimidines	21
Pd₈ Cluster: Too Small to Melt? A BOMD Study	21
Research at Predominately Undergraduate Institutions Published Recently in The Journal of Physical Chemistry A, B, and C	21
Generalized Oscillator Strengths for the Valence Shell Excitations in Carbon Tetrachloride Studied by Fast Electron Impact	21
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy	20
Probing Intermolecular H-Bonding Interactions in Cyanuric Acid Networks: Quenching of the N K-Edge Sigma Resonances	20
Computational Study on Radical-Mediated Thiol-Epoxy Reactions	20
Modeling and Characterization of Exciplexes in Photoredox CO₂Reduction: Insights from Quantum Chemistry and Fluorescence Spectroscopy	20
Importance of Noncovalent Interactions Involving Sulfur Atoms in Thiopeptide Antibiotics─Glycothiohexide α and Nocathiacin I	20
Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction	20
Weakly Bound Complexes of γ-Butyrolactone with Water as Observed in Matrix Isolation FTIR and Theoretical Calculations	20
Revisiting the Role of Charge Transfer in the Emission Properties of Carborane–Fluorophore Systems: A TDDFT Investigation	20
Semiclassical Approach to Computing Vibrationally Resolved Ionization Cross Sections for Molecular Nitrogen	20
Analytical Gradients for Electron-Attached and Ionized States for the Algebraic-Diagrammatic Construction Scheme for the Electron Propagator up to Third Order	20
Methods for Interpreting the Partitioning and Fate of Petroleum Hydrocarbons in a Sea Ice Environment	20
Diabatic States of Molecules	20
Insights into the Active Catalyst Formation from Dinuclear Palladium Acetate in Pd-Catalyzed Coupling Reactions: A DFT Study	20
Laser Spectroscopy of Helium Solvated Clusters of Methanol and Methanol–Water in the Symmetric Methyl Stretching Band	20
Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides	20
Computational Insights into Tunable Reversible Network Materials: Accelerated ReaxFF Kinetics of Furan-Maleimide Diels–Alder Reactions for Self-Healing and Recyclability	20
Photoelectron Spectroscopy and Density Functional Investigation of the Structural Evolution, Electronic, and Magnetic Properties of CrSi_n^–(n= 14–18) Clusters	19
Excited-State Aromaticity Reversals in Naphthalene and Anthracene	19
Efficient Quantum-Chemical Calculations of Acid Dissociation Constants from Free-Energy Relationships	19
Bonobo Optimizer: A New Tool Toward the Global Optimization of Small Atomic Clusters	19
Unraveling the Aromatic Rule of Cyclic Superatomic Molecules in π-Conjugated Compounds	19
Utilizing Data-Driven Optimization to Automate the Parametrization of Kinetic Monte Carlo Models	19
Phosphorescent Properties of Heteroleptic Ir(III) Complexes: Uncovering Their Emissive Species	19
Correlation Consistent Basis Sets and Core Polarization Potentials for Al–Ar with ccECP Pseudopotentials	19
Stereochemical and Computational NMR Survey of 1,2,3-Triazoles: in Search of the Original Tauto-Conformers	19
Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics	19
Dual-Channel Imine-Amine Photoisomerization in a Benzoimidazole and Benzothiazole Coupled System: Photophysics and Applications	19
Dependence of Intramolecular Hydrogen Bond on Conformational Flexibility in Linear Aminoalcohols	19
HeH⁺ Collisions with H₂: Rotationally Inelastic Cross Sections and Rate Coefficients from Quantum Dynamics at Interstellar Temperatures	19
String Method with Swarms-of-Trajectories, Mean Drifts, Lag Time, and Committor	19
Electronic and Vibrational Properties of Allene Carotenoids	19
“On-the-Fly” Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation	18
Analogy of C–Pt and C–O Chemical Bonding in the Diatomic CPt and CO	18
Issue Editorial Masthead	18
Issue Editorial Masthead	18
Issue Editorial Masthead	18
Issue Publication Information	18
Issue Editorial Masthead	18
Tuning Vibrational Lifetimes by Chemical Substitution and Impact on Plasmon-Assisted Catalysis	18
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection	18
Issue Publication Information	18
Catching the π-Stacks: Prediction of Aggregate Structures of Porphyrin	18
Issue Editorial Masthead	18
Tetrahedral Al₂₀O₃₀ Cage: A Superchalcogen Atom	18
On The Existence of Nonunique Equilibrium States	18
Issue Publication Information	18
Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory	18

Issue Publication Information	18
Issue Editorial Masthead	18
Issue Editorial Masthead	18
Influence of Linker Orientation and Regulative Factor(s) in Liposomal Gene Delivery: A Molecular Level Investigation	17
Hydration and Hydrogen Bond Order of Octadecanoic Acid and Octadecanol Films on Water at 21 and 1 °C	17
Ultrafast Excited State Dynamics of Spatially Confined Organic Molecules	17
Two Algorithms for Excited-State Quantum Solvers: Theory and Application to EOM-UCCSD	17
Issue Publication Information	17
Autobiography of Michael R. Berman: A Program Manager’s Journey	17
Issue Editorial Masthead	17
Potential Energy Surfaces Sampled in Cremer–Pople Coordinates and Represented by Common Force Field Functionals for Small Cyclic Molecules	17
Computational Prediction of One-Electron Oxidation Potentials for Cytosine and Uracil Epigenetic Derivatives	17
Multi-d-Occupancy as an Alternative Definition for the Double d-Shell Effect	17
Dissociation and Isomerization Following Ionization of Ethylene: Insights from Nonadiabatic Dynamics Simulations	17
Issue Editorial Masthead	17
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods	17
Issue Publication Information	17
Thermodynamics of the van der Waals Dimers of O₂, N₂ and the Heterodimer (N₂)(O₂) and Their Presence in Earth’s Atmosphere	17
Theoretical Appraisal of Cyclopropenone: Aggregation and Complexes with Water	17
Structures of M⁺(CH₄)_n (M = Ti, V) Based on Vibrational Spectroscopy and Density Functional Theory	17
A Computational Exploration of Exohedrally Transition Metal Doped Si₉^4– Superatom Based Magnetic MSi₉M′ Clusters (M, M′ = Sc(II) to Cu(II))	17
Addressing Anharmonic Effects with Density-Fitted Multicomponent Density Functional Theory	17
Heterogeneous Ice Nucleation in Model Crystalline Porous Organic Polymers: Influence of Pore Size on Immersion Freezing	17
SLI-GNN: A Self-Learning-Input Graph Neural Network for Predicting Crystal and Molecular Properties	17
Naphthalimide–Carbazole Compact Electron Donor–Acceptor Dyads: Effect of Molecular Geometry and Electron-Donating Capacity on the Spin-Orbit Charge Transfer Intersystem Crossing	17
Issue Editorial Masthead	17
Vibronic Coupling Effect on the Vibrationally Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF Emitter: 7-PhQAD	17
Charge and Solvent Effects on the Redox Behavior of Vanadyl Salen–Crown Complexes	17
Ozonolysis of 2-Methyl-2-pentenal: New Insights from Master Equation Modeling	16
Evaluating Halogen-Bond Strength as a Function of Molecular Structure Using Nuclear Magnetic Resonance Spectroscopy and Computational Analysis	16
Quantum Wave Packet Study of the H + Br₂ → HBr + Br Reaction on a New Ab Initio Potential Energy Surface	16
Intramolecular Polarization Contributions to the pK_a’s of Carboxylic Acids Through the Chain Length Dependence of Vibrational Tag-Shifts in Cryogenically Cooled Pyridinium-(CH_2<	16
Quantum State-Dependent Fragmentation Dynamics of D₂S Molecules Following Excitation at Wavelengths ∼ 129.1 and ∼ 139.1 nm	16
Quantum Chemical Investigation of the Cold Water Dimer Spectrum in the First OH-Stretching Overtone Region Provides a New Interpretation	16
Prediction of the Infrared Absorbance Intensities and Frequencies of Hydrocarbons: A Message Passing Neural Network Approach	16
Combined Experimental and Computational Kinetics Studies for the Atmospherically Important BrHg Radical Reacting with NO and O₂	16
Spectroscopic Detection of Cyano-Cyclopentadiene Ions as Dissociation Products upon Ionization of Aniline	16
Radical Stereochemistry: Accounting for Diastereomers in Kinetic Mechanism Development	16
Atmospheric Chemistry of CH₃OCF₂CHF₂	16
Low Energy Positron Scattering by F and F₂	16
Phase Diagrams for sII Clathrate Hydrates of CO₂ from First-Principles Thermodynamics	16
Reaction Rates of OH Radicals with CH₃OCF₂CHFCF₃ and CHF₂CF₂OCH₂CF₂CHF₂: Measurements and Estimation Using Neura	16
Toward a Stochastic Complete Active Space Second-Order Perturbation Theory	16
Superatom Molecular Orbitals of Endohedral C₈₂	16
Vibrational Mode-Specific Dynamics of the OH + C₂H₆ Reaction	16
Structures and Energetics of E₂H₃⁺ (E = As, Sb, and Bi) Cations	16
Theoretical Design of Blue-Color Phosphorescent Complexes for Organic Light-Emitting Diodes: Emission Intensities and Nonradiative Transition Rate Constants in Ir(ppy)₂(acac) Derivatives	16
Development and Implementation of Atomically Anisotropic First-Principles Force Fields: A Benzene Case Study	16
Experimental and Theoretical Study of Oxolan-3-one Thermal Decomposition	16
Binding of SO₃ to Group 4 Transition Metal Oxide Nanoclusters	16
Ring-Polymer Molecular Dynamics Calculations of Thermal Rate Coefficients and Branching Ratios for the Interstellar H₃⁺ + CO → H₂ + HCO⁺/HOC⁺ Rea	16
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H₃O₂^–	16
The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species	16
Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions	16
Matrix Infrared Spectroscopic Studies of B-NCCN, B-η²-(NC)-CN, NCBCN, CNBCN, CNBNC, and High-Order Products Produced in Reactions of Boron Atoms with Cyanogen	15
Ultrafast Photoisomerization of N-(2-Methoxybenzylidene)aniline: Nonadiabatic Surface-Hopping Study	15
Quantum Chemical Investigation of Perchloric Acid Decomposition Releasing Oxygen	15
Unveiling the Reduction Mechanism of Pu(IV) by Acetaldoxime	15
Designing Benzodithiophene-Based Small Molecule Donors for Organic Solar Cells by Regulation of Halogenation Effects	15
Conformation and Photodissociation Process of Benzo-15-Crown-5 and Benzo-18-Crown-6 Complexes with Ammonium Ions Investigated by Cold UV and IR Spectroscopy in the Gas Phase	15
Elastic Electron Scattering by Diborane(6) and Diborane(4) Molecules	15
Improving Machine Learned Force Fields for Complex Fluids through Enhanced Sampling: A Liquid Crystal Case Study	15
Temperature-Controlled Dual-Beam Optical Trap for Single Particle Studies of Organic Aerosol	15
Structural and Vibrational Properties of Amino Acids from Composite Schemes and Double-Hybrid DFT: Hydrogen Bonding in Serine as a Test Case	15
Quantification of Key Peroxy and Hydroperoxide Intermediates in the Low-Temperature Oxidation of Dimethyl Ether	15
Photochemistry of 1-Phenyl-1-diazopropane and Its Diazirine Isomer: A CASSCF and MS-CASPT2 Study	15
Protonated and Sodiated Cyclophosphamide Fragmentation Pathways Evaluation by Infrared Multiple Photon Dissociation Spectroscopy	15
Revision and Analysis of the Formation Constants of Rare Earth Diketonates	15
Transforming Two-Dimensional Carbon Allotropes into Three-Dimensional Ones through Topological Mapping: The Case of Biphenylene Carbon (Graphenylene)	15
Anion-Activated Bases and Nucleophiles Characterized by Photoelectron Spectroscopy	15
Kinetic Energy-Broadened Spatial Map Imaging for Recovering Dynamical Information	15
Correction to “CH₃O Radical Binding on Hexagonal Water Ice and Amorphous Solid Water”	15
Early Steps in the O₂ Scavenger Process in the Aqueous Phase: Hydrazine vs DEHA	15
Product Detection of the CH(X²Π) Radical Reaction with Cyclopentadiene: A Novel Route to Benzene	15
Iron Kβ X-ray Emission Spectroscopy: The Origin of Spectral Features from Atomic to Molecular Systems Using Multi-configurational Calculations	15
Theoretical Study of the Activation Reaction of a Zr⁺/P-Based Frustrated Lewis Pair with Carbon Dioxide	15
Exploring the Bonding Nature of Iron(IV)-Oxo Species through Valence Bond Calculations and Electron Density Analysis	15
CB₁₁S₃⁺: A Triangular Boron-Based Cluster with One Planar Tetracoordinate Carbon at Its Edge	15
Hydrogen-Bonding-Assisted Substituent Engineering for Modulating Magnetic Spin Couplings and Switching in m-Phenylene Nitroxide Diradicals	15
Geometric and Electronic Properties of P Atom-Doped Al Nanoclusters: Alkaline-like Superatom of P@Al₁₂	15
Isotope Effect and Heavy–Light–Heavy Reactivity Oscillation in the Cl + CHD₃/CHT₃ Reaction	15
Stability Trends in disubstituted Cobaltocenium Based on the Analysis of the Machine Learning Models	15
Ethane Molecular Energy Relaxation in High-Pressure Rare Gases	14
Superstrong Chemical Bonding of Noble Gases with Oxidoboron (BO⁺) and Sulfidoboron (BS⁺)	14
Acetone–Water Interactions in Crystalline and Amorphous Ice Environments	14
Energy Transfer and Restructuring in Amorphous Solid Water upon Consecutive Irradiation	14
Transfer Learning Approach to Multitarget Temperature-Dependent Reaction Rate Prediction	14
Importance of Hydrogen Bonding in Crowded Environments: A Physical Chemistry Perspective	14
Analysis of the Evolution of the MoxR ATPases	14
A Class of Promising Merocyanine-Functionalized Cd₃₃Se₃₃ Quantum Dots with Strong Fluorescence Emission in Tetrahydrofuran and Acetonitrile	14
Decentralized Metal–Metal Bonding in the AuNi(CO)₄^– Anion Described Equally Well with Dative Bonding as with Electron-Sharing Bonding	14
The Peculiar Interaction of Trifluoride Anions with Cryogenic Rare Gas Matrices	14
Isotope Effect on the Few-Femtosecond Relaxation Dynamics of the Ethylene Cation	14
Kelvin Probe Method to Evaluate Polarization Properties of Liquids	14
Neutral Cyclic Nitreones: Electronic Structure Analysis Reveals an Unorthodox Perspective of Several Zwitterionic Heterocyclic Species	14