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Preview: The Journal of Physical Chemistry A: Latest Articles (ACS Publications)

The Journal of Physical Chemistry A: Latest Articles (ACS Publications)



latest articles published in The Journal of Physical Chemistry A



Copyright: Copyright 2017 American Chemical Society
 



Structure, Stability, and Electronic and Magnetic Properties of VGen (n = 1–19) Clusters

Fri, 28 Apr 2017 20:01:08 GMT2017-04-28T20:01:08Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00881
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Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle–One-Hole and Four-Particle–Two-Hole Excitations

Fri, 28 Apr 2017 18:49:31 GMT2017-04-28T18:49:31Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6b11393
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Correlations between Structure and Near-Infrared Spectra of Saturated and Unsaturated Carboxylic Acids. Insight from Anharmonic Density Functional Theory Calculations

Fri, 28 Apr 2017 14:08:49 GMT2017-04-28T14:08:49Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02053
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π-Stacked Dimers of Fluorophenylacetylenes: Role of Dipole Moment

Thu, 27 Apr 2017 20:16:06 GMT2017-04-27T20:16:06Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00209
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Visualization of Electron Paramagnetic Resonance Hyperfine Structure Coupling Pathways

Thu, 27 Apr 2017 18:44:03 GMT2017-04-27T18:44:03Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01833
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Conformational Changes in 5-Methoxyindole: Effects of Thermal, Vibrational, and Electronic Excitations

Thu, 27 Apr 2017 11:21:34 GMT2017-04-27T11:21:34Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01713
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Reaction Mechanism of 4-Chlorobiphenyl and the NO3 Radical: An Experimental and Theoretical Study

Wed, 26 Apr 2017 19:27:17 GMT2017-04-26T19:27:17Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6b08626
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Molecular Products and Fundamentally Based Reaction Pathways in the Gas-Phase Pyrolysis of the Lignin Model Compound p-Coumaryl Alcohol

Wed, 26 Apr 2017 19:07:45 GMT2017-04-26T19:07:45Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01656
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Distinguishing Quinacridone Pigments via Terahertz Spectroscopy: Absorption Experiments and Solid-State Density Functional Theory Simulations

Wed, 26 Apr 2017 17:05:10 GMT2017-04-26T17:05:10Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01582
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Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li–Xe

Wed, 26 Apr 2017 04:44:58 GMT2017-04-26T04:44:58Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01916
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Signature of Congregated Effects of Mechanical and Electrical Anharmonicities, Fermi Resonances, and Dampings on the IR Spectra of Hydrogen Bonded Systems: Quantum Dynamic Study

Wed, 26 Apr 2017 14:14:08 GMT2017-04-26T14:14:08Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01616
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Cooperativity in Alcohol–Nitrogen Complexes: Understanding Cryomatrices through Slit Jet Expansions

Wed, 26 Apr 2017 14:11:37 GMT2017-04-26T14:11:37Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01265
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Applying Bayesian Approach to Combinatorial Problem in Chemistry

Mon, 24 Apr 2017 18:52:11 GMT2017-04-24T18:52:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01629
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Reaction of Aniline with Singlet Oxygen (O2 1Δg)

Mon, 24 Apr 2017 18:51:04 GMT2017-04-24T18:51:04Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00765
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Influence of 13C Isotopic Labeling Location on Dynamic Nuclear Polarization of Acetate

Mon, 24 Apr 2017 18:50:18 GMT2017-04-24T18:50:18Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01844
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Three-Body Fragmentation from Single Ionization of Water by Electron Impact: The Role of Satellite States

Mon, 24 Apr 2017 04:42:29 GMT2017-04-24T04:42:29Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01986
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Structure and Spectroscopy of C2HNO Isomers

Mon, 24 Apr 2017 13:18:59 GMT2017-04-24T13:18:59Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6b12609
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Reactions of Copper and Silver Cations with Carbon Dioxide: An Infrared Photodissociation Spectroscopic and Theoretical Study

Fri, 21 Apr 2017 18:20:38 GMT2017-04-21T18:20:38Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01320
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From Master–Slave to Peer-to-Peer Coupling in Chemical Reaction Networks

Fri, 21 Apr 2017 15:24:51 GMT2017-04-21T15:24:51Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00179
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Atmospheric Oxidation Mechanism of Furfural Initiated by Hydroxyl Radicals

Thu, 20 Apr 2017 18:59:28 GMT2017-04-20T18:59:28Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00506
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Accurate Vibrational–Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study

Thu, 20 Apr 2017 04:38:35 GMT2017-04-20T04:38:35Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02060
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Exploring Cation−π Interaction in the Complexes with BB Triple Bond: A DFT Study

Thu, 20 Apr 2017 15:17:26 GMT2017-04-20T15:17:26Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01326
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Kinetic Modeling of the Thermal Destruction of Nitrogen Mustard Gas

Thu, 20 Apr 2017 15:12:02 GMT2017-04-20T15:12:02Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01238
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Role of Capping Agent in Wet Synthesis of Nanoparticles

Thu, 20 Apr 2017 14:28:20 GMT2017-04-20T14:28:20Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02186
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An Experimental Study of the Kinetics of OH/OD(v = 1,2,3) + SO2: The Limiting High-Pressure Rate Coefficients as a Function of Temperature

Thu, 20 Apr 2017 11:57:12 GMT2017-04-20T11:57:12Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01294
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An Experimental and Master Equation Study of the Kinetics of OH/OD + SO2: The Limiting High-Pressure Rate Coefficients

Thu, 20 Apr 2017 11:56:43 GMT2017-04-20T11:56:43Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01295
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Investigation of the Halogenate–Hydrogen Peroxide Reactions Using the Electron Paramagnetic Resonance Spin Trapping Technique

Thu, 20 Apr 2017 11:23:02 GMT2017-04-20T11:23:02Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02035
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An Organic Receptor Isolated in an Unusual Intermediate Conformation: Computation, Crystallography, and Hirshfeld Surface Analysis

Wed, 19 Apr 2017 18:56:58 GMT2017-04-19T18:56:58Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00091
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Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory

Wed, 19 Apr 2017 18:44:34 GMT2017-04-19T18:44:34Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02882
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Multiphase Photochemistry of Pyruvic Acid under Atmospheric Conditions

Mon, 17 Apr 2017 20:10:15 GMT2017-04-17T20:10:15Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01107
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A Theoretical Study on Methane CH Bond Activation by Bare [FeO]+/0/–

Thu, 13 Apr 2017 11:41:53 GMT2017-04-13T11:41:53Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6b13113
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Unanticipated Stickiness of α-Pinene

Mon, 13 Feb 2017 15:22:18 GMT2017-02-13T15:22:18Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6b12653
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