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Journal of Physical Chemistry A

Current research reports and chronological list of recent articles..




Part A: Dynamics, Kinetics, Environmental Chemistry, Spectroscopy, Structure, Theory. The international scientific Journal of Physical Chemistry A publishes studies on dynamics, clusters, and excited states; kinetics, and spectroscopy; atmospheric, environmental, and green chemistry; and molecular structure, quantum chemistry, and general theory.

The publisher is the American Chemical Society, ACS. The copyright and publishing rights of specialized products listed below are in this publishing house. This is also responsible for the content shown.

To search this web page for specific words type "Ctrl" + "F" on your keyboard (Command + "F" on a Mac). Then: type the word you are searching for in the window that pops up!

Additional research articles see Current Chemistry Research Articles. Magazines with similar content (physical chemistry):

 - ChemPhysChem.

 - Doklady Physical Chemistry.

 - Faraday Discussions.

 - International Reviews in Physical Chemistry.

 - Journal of Physical Chemistry B.

 - Journal of Physical Chemistry C.

 - Journal of Physical Organic Chemistry.

 - Physical Chemistry Chemical Physics PCCP.

 - Russian Journal of Physical Chemistry A.

 - Russian Journal of Physical Chemistry B.



Journal of Physical Chemistry A - Abstracts



[ASAP] Laser-Induced Fluorescence and Dispersed Fluorescence Spectroscopy of Jet-Cooled Isopentoxy Radicals

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07307

Datum: 20.09.2019


[ASAP] Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06855

Datum: 20.09.2019


[ASAP] Hydrogen-Bonding Mediated Reactions of Criegee Intermediates in the Gas Phase: Competition between Bimolecular and Termolecular Reactions and the Catalytic Role of Water

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07117

Datum: 20.09.2019


[ASAP] Hydrogenic Stretch Spectroscopy of Glycine–Water Complexes: Anharmonic Ab Initio Classical Separable Potential Calculations

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05378

Datum: 20.09.2019


[ASAP] Ultrafast Evolution of B<sup>2</sup>E<sub>2g</sub> - X<sup>2</sup>E<sub>1g</sub> Conical Intersection of Benzene Cations by Strong Field Ionization-Photo Fragmentation

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07044

Datum: 20.09.2019


[ASAP] Probing Binding of Ethylated Pillar[5]arene with Pentene and Chlorobutane Positional Isomers

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05563

Datum: 19.09.2019


[ASAP] Pressure-Dependent Kinetics of the Reaction between CH<sub>3</sub>O<sub>2</sub> and OH: TRIOX Formation

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b03861

Datum: 19.09.2019


[ASAP] Sulfuric Acid Formation via H<sub>2</sub>SO<sub>3</sub> Oxidation by H<sub>2</sub>O<sub>2</sub> in the Atmosphere

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05444

Datum: 19.09.2019


[ASAP] Complexes of Alkali Metal Cations and Molecular Hydrogen: Potential Energy Surfaces and Bound States

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05937

Datum: 18.09.2019


[ASAP] Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06921

Datum: 18.09.2019


[ASAP] Computational Study on the Mechanisms and Rate Constants for the O(<sup>3</sup>P,<sup>1</sup>D) + OCS Reactions

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05720

Datum: 18.09.2019


[ASAP] Isomer-Selective Detection of Keto-Hydroperoxides in the Low-Temperature Oxidation of Tetrahydrofuran

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07017

Datum: 17.09.2019


[ASAP] BN-Doped Graphene and Single-Walled Carbon Nanotubes for the Catalysis of S<sub>N</sub>2 Reactions: Insights from Density Functional Theory Modeling

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05315

Datum: 17.09.2019


[ASAP] Dissociative Electron Attachment to Molecular Acetonitrile

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07399

Datum: 17.09.2019


[ASAP] Protoisomerization of Indigo and Isoindigo Dyes Confirmed by Gas-Phase Infrared Ion Spectroscopy

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06858

Datum: 17.09.2019


[ASAP] Effects of Selenium Species on the Belousov–Zhabotinsky Reaction

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07430

Datum: 17.09.2019


[ASAP] Theoretical Investigation of the Atmospheric Photochemistry of Glyoxylic Acid in the Gas Phase

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06268

Datum: 17.09.2019


[ASAP] Ground and Low-Lying Excited States of NbC<sub>3</sub><sup>–/0</sup> Clusters: Assignment of the Anion Photoelectron Spectra from Multiconfigurational Calculations

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07583

Datum: 17.09.2019


[ASAP] Correction to “Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory”

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b08424

Datum: 16.09.2019


[ASAP] Spin-Polarized Hydrogen Depolarization Rates at High Hydrogen Halide Pressures: Hyperfine Depolarization via the HY–H Complex

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06372

Datum: 16.09.2019


[ASAP] Formation of the M<sub>2</sub>B<sub>18</sub><sup><italic toggle="yes">q</italic></sup> Teetotum Boron Clusters with 4d and 5d Transition Metals M = Rh, Pd, Ir, and Pt

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b04078

Datum: 16.09.2019


[ASAP] From Surface Hopping to Quantum Dynamics and Back. Finding Essential Electronic and Nuclear Degrees of Freedom and Optimal Surface Hopping Parameters

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06103

Datum: 16.09.2019


[ASAP] Machine Learning To Predict Standard Enthalpy of Formation of Hydrocarbons

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b04771

Datum: 16.09.2019


[ASAP] Ionic Polymerization in Cold Plasmas of Acetylene with Ar and He

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06399

Datum: 16.09.2019


[ASAP] Ion Momentum Imaging Study of the Ion–Molecule Charge Exchange Reaction of Ar<sup>+</sup> + CO<sub>2</sub>

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06607

Datum: 13.09.2019


[ASAP] Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07519

Datum: 13.09.2019


[ASAP] Assessment of p<italic toggle="yes">K</italic><sub>a</sub> Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05380

Datum: 13.09.2019


[ASAP] Photo-induced Electron Transfer or Proton-Coupled Electron Transfer in Methylbipyridine/Phenol Complexes: A Time-Dependent Density Functional Theory Investigation1

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06274

Datum: 13.09.2019


[ASAP] Benzoxazine Formation Mechanism Evaluation by Direct Observation of Reaction Intermediates

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05065

Datum: 13.09.2019


[ASAP] Resonant Behavior in a Periodically Forced Nonisothermal Oregonator

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05238

Datum: 12.09.2019


[ASAP] Experimental and DFT Studies on the Identity Exchange Reactions between Phenyl Chalcogen Iranium Ions and Alkenes

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06004

Datum: 12.09.2019


[ASAP] Experimental and Theoretical Study of the O(<sup>1</sup>D) + HD Reaction

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06133

Datum: 12.09.2019


[ASAP] Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational–Vibrational Spectrum of Water in Solid Noble Gas Matrices

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07221

Datum: 12.09.2019


[ASAP] Singlet–Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06215

Datum: 12.09.2019


[ASAP] On-Top Ratio for Atoms and Molecules

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b04259

Datum: 12.09.2019


[ASAP] Direct Observation of Intrachain Hydrogen Bonds in Aqueous Hyaluronan

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06462

Datum: 12.09.2019


[ASAP] Formation of Cerium and Neodymium Isocyanides in the Reactions of Cyanogen with Ce and Nd Atoms in Argon Matrices

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b06026

Datum: 11.09.2019


[ASAP] Solid-State <sup>17</sup>O NMR Study of Carboxylic Acid Dimers: Simultaneously Accessing Spectral Properties of Low- and High-Energy Tautomers

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b07224

Datum: 10.09.2019


[ASAP] Electronic Communication as a Transferable Property of Molecular Bridges?

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05618

Datum: 24.08.2019


[ASAP] Collisional Excitation of CF<sup>+</sup> by H<sub>2</sub>: Potential Energy Surface and Rotational Cross Sections

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05538

Datum: 05.08.2019


[ASAP] Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and p<italic toggle="yes">K</italic><sub>a</sub> Values of Thiols

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b02340

Datum: 02.08.2019


[ASAP] Catalytic CO Oxidation by Gas-Phase Metal Oxide Clusters

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b05185

Datum: 31.07.2019


[ASAP] Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b03814

Datum: 24.07.2019


[ASAP] Low-Energy Water–Hydrogen Inelastic Collisions

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b04753

Datum: 22.07.2019


[ASAP] Production of Br<sub>2</sub> from N<sub>2</sub>O<sub>5</sub> and Br<sup>–</sup> in Salty and Surfactant-Coated Water Microjets

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b04225

Datum: 19.07.2019


[ASAP] Nanoscale Fluid Vortices and Nonlinear Electroosmotic Flow Drive Ion Current Rectification in the Presence of Concentration Gradients

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b04075

Datum: 16.07.2019


[ASAP] High-Repetition Rate Broadband Pump–Probe Microscopy

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b03858

Datum: 11.07.2019


[ASAP] Theoretical Studies of the Gas-Phase Reactions of <italic toggle="yes">S</italic>-Methyl Methanesulfinothioate (Dimethyl Thiosulfinate) with OH and Cl Radicals: Reaction Mechanisms, Energetics, and Kinetics

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b02435

Datum: 02.07.2019


[ASAP] Anthracene–Argon Clusters Generated in Superfluid Helium Nanodroplets: New Aspects on Cluster Formation and Microsolvation

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b04138

Datum: 01.07.2019


[ASAP] Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C<sub><bold>3</bold></sub>

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b03194

Datum: 25.06.2019


 


Category: Current Chemistry Research

Last update: 28.03.2018.






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