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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] Mechanistic Insights into Cobalt-Based Water Oxidation Catalysis by DFT-Based Molecular Dynamics Simulations

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01043

Datum: 20.05.2022


[ASAP] Impact of π‑Conjugation Length on the Excited-State Dynamics of Star-Shaped Carbazole-π-Triazine Organic Chromophores

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00682

Datum: 20.05.2022


[ASAP] Accurate Calculation of Rate Constant and Isotope Effect for the F + H<sub>2</sub> Reaction by the Coupled 3D Time-Dependent Wave Packet Method on the Newly Constructed <italic toggle="yes">Ab Initio</italic> Ground Potential Energy Surface

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01209

Datum: 20.05.2022


[ASAP] Development of Chemical Kinetics Models from Atomistic Reactive Molecular Dynamics Simulations: Application to Iso-octane Combustion and Rubber Ablative Degradation

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00901

Datum: 19.05.2022


[ASAP] Correction to “Vibronic Coupling Effect on the Vibrationally Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF Emitter: 7‑PhQA”

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c03179

Datum: 19.05.2022


[ASAP] Excited Electronic State Cross Sections for Group 3 Halide and Oxide Production: Evaluating Relative Excited-State Quantum Yields

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01780

Datum: 19.05.2022


[ASAP] Formation of the Elusive Silylenemethyl Radical (HCSiH<sub>2</sub>; X<sup>2</sup>B<sub>2</sub>) via the Unimolecular Decomposition of Triplet Silaethylene (H<sub>2</sub>CSiH<sub>2</sub>; a<sup>3</sup>A″)

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01853

Datum: 18.05.2022


[ASAP] A Fully Linear Response <italic toggle="yes">G</italic><sub>0</sub><italic toggle="yes">W</italic><sub>0</sub> Method That Scales Linearly up to Tens of Thousands of Cores

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01328

Datum: 18.05.2022


[ASAP] Weakly Bound Complex Formation between HCN and CH<sub>3</sub>Cl: A Matrix-Isolation and Computational Study

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00716

Datum: 18.05.2022


[ASAP] Electric Properties of Photochromic Molecules Physisorbed on Silver and Copper Nanoparticles

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01003

Datum: 18.05.2022


[ASAP] Free-Energy Landscape and Isomerization Rates of Au<sub>4</sub> Clusters at Finite Temperatures

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c02732

Datum: 18.05.2022


[ASAP] Ionization Energies and Ground-State Structures of Neutral La<sub><italic toggle="yes">n</italic></sub> (<italic toggle="yes">n</italic> = 2–14) Clusters: A Combined Experimental and Theoretical Investigation

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00967

Datum: 17.05.2022


[ASAP] Evaporation and Molecular Beam Scattering from a Flat Liquid Jet

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01174

Datum: 17.05.2022


[ASAP] Anatomy of Classical Boron–Boron Bonding: Overlap and sp Dissonance

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01981

Datum: 17.05.2022


[ASAP] Chiral-Induced Spin Selectivity in Capacitively Coupled Molecules

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01156

Datum: 16.05.2022


[ASAP] Mechanisms and Kinetics Studies of Butylated Hydroxytoluene Degradation to Isobutene

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01961

Datum: 13.05.2022


[ASAP] Endohedral σ‑Diradical Nitrogen-Vacancy Diamond Nanoclusters with a Confined Magnetic Space and Strong Electronic Spin Couplings

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01709

Datum: 13.05.2022


[ASAP] Real Temperature Model of Dynamic Disorder in Molecular Crystals

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c02120

Datum: 13.05.2022


[ASAP] Rotational and Vibrational Spectra of the Pyridyl Radicals: A Coupled-Cluster Study

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01761

Datum: 13.05.2022


[ASAP] Theoretical Insights into Enantioselective [3 + 2] Cycloaddition between Cinnamaldehyde and Cyclic <italic toggle="yes">N</italic>‑Sulfonyl Trifluoromethylated Ketimine Catalyzed by <italic toggle="yes">N</italic>‑Heterocyclic Carbene

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00900

Datum: 12.05.2022


[ASAP] Boron Silicon B<sub>2</sub>Si<sub>3</sub><sup><italic toggle="yes">q</italic></sup> and B<sub>3</sub>Si<sub>2</sub><sup><italic toggle="yes">p</italic></sup> Clusters: The Smallest Aromatic Ribbons

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00540

Datum: 12.05.2022


[ASAP] Distribution Pattern of Metal Atoms in Bimetal-Doped Pyridinic–N<sub>4</sub> Pores Determines Their Potential for Electrocatalytic N<sub>2</sub> Reduction

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00486

Datum: 12.05.2022


[ASAP] Conical Shape Fluctuations Determine the Rate of Ion Evaporation and the Emitted Cluster Size Distribution from Multicharged Droplets

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c02056

Datum: 12.05.2022


[ASAP] Photoelectron Spectroscopy and High-Level Ab Initio Calculations of the Iodide–Methylperoxy Radical Complex

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00299

Datum: 12.05.2022


[ASAP] Anharmonicity and the IR Emission Spectrum of Neutral Interstellar PAH Molecules

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01849

Datum: 11.05.2022


[ASAP] Atmospheric Chemistry of <italic toggle="yes">N</italic>‑Methylmethanimine (CH<sub>3</sub>NCH<sub>2</sub>): A Theoretical and Experimental Study

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01925

Datum: 11.05.2022


[ASAP] Diabatic Valence-Hole States in the C<sub>2</sub> Molecule: “Putting Humpty Dumpty Together Again”

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c00495

Datum: 11.05.2022


[ASAP] Reactions of Atomic Thorium and Uranium Cations with SF<sub>6</sub> Studied by Guided Ion Beam Tandem Mass Spectrometry

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c02090

Datum: 11.05.2022


[ASAP] Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.1c10553

Datum: 11.05.2022


[ASAP] Reactive Molecular Dynamics Simulations of the Depolymerization of Polyethylene Using Graphene-Oxide-Supported Platinum Nanoparticles

TOC Graphic

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.2c01167

Datum: 09.05.2022


 


Category: Current Chemistry Research

Last update: 28.03.2018.






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