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.

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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



A Theoretical and Computational Analysis of the Methyl-Vinyl + O2 Reaction and Its Effects on Propene Combustion

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b07594

Datum: 21.11.2017


Structural and Energetic Properties of Haloacetonitrile–BCl3 Complexes: Computations and Matrix-IR Spectroscopy

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09715

Datum: 21.11.2017


Coherent Two-Quantum Two-Dimensional Electronic Spectroscopy Using Incoherent Light

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09443

Datum: 21.11.2017


Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09873

Datum: 21.11.2017


A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b10357

Datum: 21.11.2017


Seven Chromisms Associated with Dithizone

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09490

Datum: 21.11.2017


Transition Metal Doping Reveals Link between Electron T1 Reduction and 13C Dynamic Nuclear Polarization Efficiency

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09448

Datum: 21.11.2017


Solvent-Controlled Branching of Localized versus Delocalized Singlet Exciton States and Equilibration with Charge Transfer in a Structurally Well-Defined Tetracene Dimer

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09458

Datum: 21.11.2017


Computational Analysis of Transition Metal-Terminal Boride Complexes

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09103

Datum: 21.11.2017


Electric Dipole–Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09104

Datum: 21.11.2017


Static and Dynamic Electron Correlation in the Ligand Noninnocent Oxidation of Nickel Dithiolates

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09567

Datum: 20.11.2017


Theoretical Design on a Series of Novel Bicyclic and Cage Nitramines as High Energy Density Compounds

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b10462

Datum: 20.11.2017


Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b10120

Datum: 17.11.2017


Heptavalent Actinide Tetroxides NpO4– and PuO4–: Oxidation of Pu(V) to Pu(VII) by Adding an Electron to PuO4

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09721

Datum: 17.11.2017


Microhydration of BH4–: Dihydrogen Bonds, Structure, Stability, and Raman Spectra

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09703

Datum: 17.11.2017


Vanadium NMR Chemical Shifts of (Imido)vanadium(V) Dichloride Complexes with Imidazolin-2-iminato and Imidazolidin-2-iminato Ligands: Cooperation with Quantum-Chemical Calculations and Multiple Linear Regression Analyses

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b08328

Datum: 17.11.2017


CO2 Complexes with Five-Membered Heterocycles: Structure, Topology, and Spectroscopic Characterization

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09394

Datum: 17.11.2017


Trends in Strong Chemical Bonding in C2, CN, CN–, CO, N2, NO, NO+, and O2

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b08201

Datum: 16.11.2017


Double-Layered Composite Methods Extrapolating to Complete Basis-Set Limit for the Systems Involving More than Ten Heavy Atoms: Application to the Reaction of Heptafluoroisobutyronitrile with Hydroxyl Radical

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b08844

Datum: 16.11.2017


Luminescence of Molecular Nitrogen Nanoclusters Containing Stabilized Atoms

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09661

Datum: 16.11.2017


The Hydrogen Abstraction Reaction H2S + OH → H2O + SH: Convergent Quantum Mechanical Predictions

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09563

Datum: 16.11.2017


Four-Component Relativistic Density Functional Calculations of EPR Parameters for Model Complexes of Tungstoenzymes

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b08768

Datum: 16.11.2017


Nonmonotonic Temperature Dependence of the Pressure-Dependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09374

Datum: 16.11.2017


Notes on The Energy Equivalence of Information

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09528

Datum: 15.11.2017


Nitrogen: A New Class of π-Bonding Partner in Hetero π-Stacking Interaction

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b08164

Datum: 15.11.2017


TDDFT Study of the Optical Excitation of Nucleic Acid Bases-C60 Complexes

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b07442

Datum: 15.11.2017


Observation of Two Conformers of Acrylic Sulfuric Anhydride by Microwave Spectroscopy

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b09833

Datum: 15.11.2017


Dynamics and Novel Mechanisms of SN2 Reactions on ab Initio Analytical Potential Energy Surfaces

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b08140

Datum: 23.10.2017






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