asap

[ASAP] Isomer-Selective Threshold Photoelectron Spectra of Phenylnitrene and Its Thermal Rearrangement Products

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01134




asap

[ASAP] Microscopic Analysis of Heterogeneous Nucleation of Nanoparticle Superstructures

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01844




asap

[ASAP] 3-Nitrene-2-formylthiophene and 3-Nitrene-2-formylfuran: Matrix Isolation, Conformation, and Rearrangement Reactions

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11638




asap

[ASAP] Theoretical Study on the Reduction Mechanism of Np(VI) by Hydrazine Derivatives

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01504




asap

[ASAP] The Vagabond Fluorine Atom: Dissociative Photoionization of <italic toggle="yes">trans</italic>-1,3,3,3-Tetrafluoropropene

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01804




asap

[ASAP] Hydration Structure and Hydrolysis of U(IV) and Np(IV) Ions: A Comparative Density Functional Study Using a Modified Continuum Solvation Approach

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11862




asap

[ASAP] Two-temperature Collisional-radiative Modeling of Partially Ionized O<sub>2</sub>–Ar Mixtures over 8000–10,000 K Behind Reflected Shock Waves

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00466




asap

[ASAP] Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01838




asap

[ASAP] Predicting Deprotonation Sites Using Alchemical Derivatives

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b09472




asap

[ASAP] Approximating the Strength of the Intramolecular Hydrogen Bond in 2-Fluorophenol and Related Compounds: A New Application of a Classic Technique

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01641




asap

[ASAP] Conformers of Allyl Isothiocyanate: A Combined Microwave Spectroscopy and Computational Study

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02059




asap

[ASAP] Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe<sup>3+</sup> as Active Catalytic Specie: A Computational Approach

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b09622




asap

[ASAP] <italic toggle="yes">Ab Initio</italic> Kinetics of Methylamine Radical Thermal Decomposition and H-Abstraction from Monomethylhydrazine by H-Atom

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02389




asap

[ASAP] Reactivity Parameters and Substitution Effect in Organic Acids

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b10258




asap

[ASAP] Infrared Photodissociation Spectroscopy of Mass-Selected Cu<sub>2</sub>O<sub>2</sub>(CO)<sub><italic toggle="yes">n</italic></sub><sup>+</sup> Clusters in the Gas Phase

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01813




asap

[ASAP] Acoustic Vibrations of Al Nanocrystals: Size, Shape, and Crystallinity Revealed by Single-Particle Transient Extinction Spectroscopy

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01190




asap

[ASAP] Connecting Femtosecond Transient Absorption Microscopy with Spatially Coregistered Time Averaged Optical Imaging Modalities

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11996




asap

[ASAP] Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01280




asap

[ASAP] Heterogeneous Chemistry of CaCO<sub>3</sub> Aerosols with HNO<sub>3</sub> and HCl

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11691




asap

[ASAP] Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF<sub>2</sub>, and ZnO/ZnF<sub>2</sub>: A DFT Investigation within PBE, PBE + <italic toggle="yes">U</italic>, and Hybrid HSE Funct

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11415




asap

[ASAP] The Conformational Landscape, Internal Rotation, and Structure of 1,3,5-Trisilapentane using Broadband Rotational Spectroscopy and Quantum Chemical Calculations

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01100




asap

[ASAP] Mercury Magnetic Isotope Effect: A Plausible Photochemical Mechanism

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00661




asap

[ASAP] Gas-to-Liquid Phase Transition of PAH at Flame Temperatures

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01912




asap

[ASAP] An Exact Ewald Summation Method in Theory and Practice

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01684




asap

[ASAP] Tandem Catalysts for Polyethylene Upcycling: A Simple Kinetic Model

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01363




asap

[ASAP] Organocatalysis by Halogen, Chalcogen, and Pnictogen Bond Donors in Halide Abstraction Reactions: An Alternative to Hydrogen Bond-Based Catalysis

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01060




asap

[ASAP] Computational Evidence for Homonuclear Ge<sup>I</sup>Ge<sup>I</sup> Dative Bonds

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11665




asap

[ASAP] A Multilayer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01793




asap

[ASAP] Infrared Spectroscopic and Kinetic Characterization on the Photolysis of Nitrite in Alcohol-Containing Aqueous Solutions

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02104




asap

[ASAP] Molecular Design of Heptazine-Based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00488




asap

[ASAP] Solvent Dependence of Cationic-Exciplex Emission: Limitation of Solvent Polarity Functions and the Role of Hydrogen Bonding

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01774




asap

[ASAP] Photochemical Generation of Benzoazetinone by UV Excitation of Matrix-Isolated Precursors: Isatin or Isatoic Anhydride

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02562




asap

[ASAP] Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01606




asap

[ASAP] Experimental and Theoretical Soft X-ray Study of Nicotine and Related Compounds

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11586




asap

[ASAP] Attracting Opposites: Promiscuous Ion-p Binding in the Nucleobases

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02766




asap

[ASAP] Proton Transfer in Phosphoric Acid-Based Protic Ionic Liquids: Effects of the Base

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02863




asap

[ASAP] Total Internal Reflection Transient Absorption Microscopy: An Online Detection Method for Microfluidics

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b12046




asap

[ASAP] Vibrational Partition Function for the Multitemperature Theories of High-Temperature Flows of Gases and Plasmas

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01161




asap

[ASAP] Low-Lying Electronic States of FeGe<italic toggle="yes"><sub>n</sub></italic><sup>–/0</sup> (<italic toggle="yes">n</italic> = 1–3) Clusters Calculated with Multireference Second-O

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02521




asap

[ASAP] Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00881




asap

[ASAP] Time-Resolved Photoelectron Spectroscopy Studies of Isoxazole and Oxazole

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11788




asap

[ASAP] Density Functional Theory Investigation of the Binding of ThioTEPA to Purine Bases: Thermodynamics and Bond Evolution Theory Analysis

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01792




asap

[ASAP] Low-Threshold Lasing up to 360 K in All-Dielectric Subwavelength-Nanowire Nanocavities

ACS Photonics
DOI: 10.1021/acsphotonics.0c00166




asap

[ASAP] Monochromatic X-ray Source Based on Scattering from a Magnetic Nanoundulator

ACS Photonics
DOI: 10.1021/acsphotonics.0c00121




asap

[ASAP] Describing Meta-Atoms Using the Exact Higher-Order Polarizability Tensors

ACS Photonics
DOI: 10.1021/acsphotonics.9b01776




asap

[ASAP] White Light Emission from a Zero-Dimensional Lead Chloride Hybrid Material

ACS Photonics
DOI: 10.1021/acsphotonics.9b01817




asap

[ASAP] Plasmon-Mediated Coherent Superposition of Discrete Excitons under Strong Exciton–Plasmon Coupling in Few-Layer MoS<sub>2</sub> at Room Temperature

ACS Photonics
DOI: 10.1021/acsphotonics.0c00233




asap

[ASAP] Room Temperature Graphene Mid-Infrared Bolometer with a Broad Operational Wavelength Range

ACS Photonics
DOI: 10.1021/acsphotonics.0c00028




asap

[ASAP] Modulation of the Visible Absorption and Reflection Profiles of ITO Nanocrystal Thin Films by Plasmon Excitation

ACS Photonics
DOI: 10.1021/acsphotonics.9b01825




asap

[ASAP] Size, Ligand, and Defect-Dependent Electron–Phonon Coupling in Chalcogenide and Perovskite Nanocrystals and Its Impact on Luminescence Line Widths

ACS Photonics
DOI: 10.1021/acsphotonics.0c00034