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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
 



Assessment of the Effects of Anisotropic Interactions among Hydrogen Molecules and Their Isotopologues: A Diffusion Monte Carlo Investigation of Gas Phase and Adsorbed Clusters

Tue, 27 Jun 2017 12:04:48 GMT2017-06-27T12:04:48Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03768
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Thermal Decomposition of 2,3,3,3- and trans-1,3,3,3-Tetrafluoropropenes

Tue, 27 Jun 2017 12:03:49 GMT2017-06-27T12:03:49Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04086
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Final State Resolved Quantum Predissociation Dynamics of SO2(C̃1B2) and Its Isotopomers via a Crossing with a Singlet Repulsive State

Tue, 27 Jun 2017 12:03:33 GMT2017-06-27T12:03:33Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04629
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Photochemical Kinetics of a Phosphine Oxide Free Radical Initiator from Femtosecond UV-Pump/Mid-IR-Probe Spectroscopy

Tue, 27 Jun 2017 12:03:20 GMT2017-06-27T12:03:20Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04268
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MQCT. I. Inelastic Scattering of Two Asymmetric-Top Rotors with Application to H2O + H2O

Mon, 26 Jun 2017 18:52:36 GMT2017-06-26T18:52:36Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03554
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Combined Electron-Diffraction and Spectroscopic Determination of the Structure of Spiropentane, C5H8

Mon, 26 Jun 2017 04:33:57 GMT2017-06-26T04:33:57Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04450
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Feasibility of Photosensitized Reactions with Secondary Organic Aerosol Particles in the Presence of Volatile Organic Compounds

Mon, 26 Jun 2017 04:33:41 GMT2017-06-26T04:33:41Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04066
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Role of N-Heterocyclic Carbenes as Ligands in Iridium Carbonyl Clusters

Fri, 23 Jun 2017 19:19:57 GMT2017-06-23T19:19:57Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04161
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Radical Ions of a π-Bowl Sumanene: Effects of Strained Structure on the Electronic Transitions

Fri, 23 Jun 2017 18:49:40 GMT2017-06-23T18:49:40Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03700
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Thermal Decomposition Mechanism for Ethanethiol

Fri, 23 Jun 2017 17:32:21 GMT2017-06-23T17:32:21Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02629
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Effects of Water Molecule on CO Oxidation by OH: Reaction Pathways, Kinetic Barriers, and Rate Constants

Thu, 22 Jun 2017 21:40:20 GMT2017-06-22T21:40:20Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03704
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Tracking Intramolecular Vibrational Redistribution in Polyatomic Small-Molecule Liquids by Ultrafast Time–Frequency-Resolved CARS

Thu, 22 Jun 2017 21:39:54 GMT2017-06-22T21:39:54Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b05578
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Using Structural Kinetic Modeling To Identify Key Determinants of Stability in Reaction Networks

Thu, 22 Jun 2017 21:23:11 GMT2017-06-22T21:23:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01852
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Acidities under the Perspective of Energy Decomposition Analysis

Thu, 22 Jun 2017 21:22:00 GMT2017-06-22T21:22:00Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02451
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Theoretical Investigation of Metallic Heterofullerenes of Silicon and Germanium Mixed with Phosphorus and Arsenic Atoms M-A8E6, A = Si, Ge; E = P, As; and M = Cr, Mo, W

Thu, 22 Jun 2017 21:21:22 GMT2017-06-22T21:21:22Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04631
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Density Functional Study of Neutral and Charged Silver Clusters Agn with n = 2–22. Evolution of Properties and Structure

Thu, 22 Jun 2017 20:05:28 GMT2017-06-22T20:05:28Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03905
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Systematic Investigation of π–π Interactions in Near-Edge X-ray Fine Structure (NEXAFS) Spectroscopy of Paracyclophanes

Wed, 21 Jun 2017 19:04:57 GMT2017-06-21T19:04:57Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03823
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Effect of Conjugation Length on Photoinduced Charge Transfer in π-Conjugated Oligomer-Acceptor Dyads

Wed, 21 Jun 2017 17:55:20 GMT2017-06-21T17:55:20Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03547
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A pOH Jump Driven by NN Out-of-Plane Motion in the Photoisomerization of Water-Solvated Triazabutadiene

Wed, 21 Jun 2017 17:54:47 GMT2017-06-21T17:54:47Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04817
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Correction to “Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics”

Wed, 21 Jun 2017 17:54:20 GMT2017-06-21T17:54:20Z

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b05842
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Halogen Bonding in the Complexes of CH3I and CCl4 with Oxygen-Containing Halogen-Bond Acceptors

Wed, 21 Jun 2017 17:54:11 GMT2017-06-21T17:54:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04342
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Photoinitiated Dynamics in Amorphous Solid Water via Nanoimprint Lithography

Wed, 21 Jun 2017 04:03:19 GMT2017-06-21T04:03:19Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04560
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Effect of Bisulfate, Ammonia, and Ammonium on the Clustering of Organic Acids and Sulfuric Acid

Mon, 19 Jun 2017 18:31:55 GMT2017-06-19T18:31:55Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03981
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Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine–Water Complex

Fri, 16 Jun 2017 18:31:58 GMT2017-06-16T18:31:58Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04594
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Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles

Fri, 16 Jun 2017 17:40:35 GMT2017-06-16T17:40:35Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6b12149
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Cl-Loss Dynamics of Vinyl Chloride Cations in the B2A″ State: Role of the C2A′ State

Fri, 16 Jun 2017 15:34:09 GMT2017-06-16T15:34:09Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03636
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Cytosine Iminyl Radical (cytN•) Formation via Electron-Induced Debromination of 5-Bromocytosine: A DFT and Gaussian 4 Study

Fri, 16 Jun 2017 15:22:31 GMT2017-06-16T15:22:31Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04034
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Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations

Fri, 16 Jun 2017 14:49:17 GMT2017-06-16T14:49:17Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03686
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Polarized Raman and Infrared Spectroscopy and ab Initio Calculation of Palmitic and Stearic Acids in the Bm and C Forms

Thu, 15 Jun 2017 15:55:24 GMT2017-06-15T15:55:24Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b04117
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QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor

Wed, 14 Jun 2017 19:18:31 GMT2017-06-14T19:18:31Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02347
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Atmospheric Aqueous Aerosol Surface Tensions: Isotherm-Based Modeling and Biphasic Microfluidic Measurements

Mon, 05 Jun 2017 20:13:10 GMT2017-06-05T20:13:10Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03189
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