J. Phys. Chem. A

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latest articles published in The Journal of Physical Chemistry A
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Trajectory and Model Studies of Collisions of Highly Excited Methane with Water Using an ab Initio Potential

28 August, 2015 - 21:02

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b06595

Dynamics of H Atom Production from Photodissociation of Acetic Acid-d1

28 August, 2015 - 21:01

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05241

A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil

28 August, 2015 - 21:00

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b06639

Vis-Near-IR Spectroscopic and Time-Dependent DFT Study of Reduced Singly Bonded C60 Species

28 August, 2015 - 16:35

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b07932

Computing the Anharmonic Vibrational Spectrum of UF6 in 15 Dimensions with an Optimized Basis Set and Rectangular Collocation

28 August, 2015 - 16:34

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b07627

Photocatalytic Properties of TiO2: Evidence of the Key Role of Surface Active Sites in Water Oxidation

28 August, 2015 - 16:22

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05031

Electronic Properties of Chlorine, Methyl, and Chloromethyl as Substituents to the Ethylene GroupViewed from the Core of Carbon

27 August, 2015 - 21:37

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05494

Cavity Ring Down Spectroscopy Measurements for High-Overtone Vibrational Bands of HC3N

27 August, 2015 - 15:00

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05884

Computational Study of Competition between Direct Abstraction and Addition–Elimination in the Reaction of Cl Atoms with Propene

27 August, 2015 - 12:21

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b07052

Hidden Bond Anomalies: The Peculiar Case of the Fluorinated Amine Chalcogenides

26 August, 2015 - 05:38

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05157

Performance of a Non-Local van der Waals Density Functional on the Dissociation of H2 on Metal Surfaces

25 August, 2015 - 20:48

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b06008

Dielectric Investigation of Parylene D Thin Films: Relaxation and Conduction Mechanisms

25 August, 2015 - 20:48

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b07459

Quantum Chemical Investigation of Light-Activated Spin State Change in Pyrene Coupled to Oxoverdazyl Radical Center

25 August, 2015 - 20:23

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b06052

Nanomechanics of RDX Single Crystals by Force–Displacement Measurements and Molecular Dynamics Simulations

25 August, 2015 - 20:23

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b04876

Fine-Tuning of Magnetic Properties in Nickel(II) Trinuclear EMACs via Modifications of Equatorial Ligands

25 August, 2015 - 16:06

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05409

Rotation Dynamics Do Not Determine the Unexpected Isotropy of Methyl Radical EPR Spectra

25 August, 2015 - 15:18

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05648

Filament-Assisted Impulsive Raman Spectroscopy of Ozone and Nitrogen Oxides

25 August, 2015 - 11:24

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b06319

Infrared Photodissociation Spectroscopy of the Ni(O2)n+ (n = 2–4) Cation Complexes

25 August, 2015 - 11:24

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b07089

Water Splitting Processes on Mn4O4 and CaMn3O4 Model Cubane Systems

25 August, 2015 - 11:22

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b03170

Band Propagation, Scaling Laws, and Phase Transition in a Precipitate System. 2. Computational Study

24 August, 2015 - 20:36

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b05069

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