J. Phys. Chem. A

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latest articles published in The Journal of Physical Chemistry A
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Criegee Intermediate Reaction with CO: Mechanism, Barriers, Conformer-Dependence, and Implications for Ozonolysis Chemistry

26 February, 2014 - 11:27

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The Journal of Physical Chemistry ADOI: 10.1021/jp500258h

Molecular Dynamics of Methanol Monocation (CH3OH+) in Strong Laser Fields

26 February, 2014 - 11:27

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The Journal of Physical Chemistry ADOI: 10.1021/jp410091b

Experimental and Modeling Study of the Thermal Decomposition of C3–C5 Ethyl Esters Behind Reflected Shock Waves

26 February, 2014 - 11:26

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The Journal of Physical Chemistry ADOI: 10.1021/jp411766b

Resonance Raman Spectra and Electronic Transitions in Carotenoids: A Density Functional Theory Study

26 February, 2014 - 05:49

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The Journal of Physical Chemistry ADOI: 10.1021/jp406449c

Nonchromophoric Organic Matter Suppresses Polycyclic Aromatic Hydrocarbon Photolysis in Ice and at Ice Surfaces

25 February, 2014 - 15:05

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The Journal of Physical Chemistry ADOI: 10.1021/jp500263h

Alanate Anion, AlH4–: Photoelectron Spectrum and Computations

25 February, 2014 - 14:12

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The Journal of Physical Chemistry ADOI: 10.1021/jp500678n

At What Chain Length Do Unbranched Alkanes Prefer Folded Conformations?

25 February, 2014 - 12:35

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The Journal of Physical Chemistry ADOI: 10.1021/jp4121854

Experimental and ab Initio Investigations of H2S-Assisted Propane Oxidative Dehydrogenation Reactions

25 February, 2014 - 12:35

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The Journal of Physical Chemistry ADOI: 10.1021/jp410750c

Rotational Spectroscopic Studies of C–H···F Interactions in the Vinyl Fluoride···Difluoromethane Complex

24 February, 2014 - 17:14

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The Journal of Physical Chemistry ADOI: 10.1021/jp500312r

Hydrogen–Hydrogen Bonds in Highly Branched Alkanes and in Alkane Complexes: A DFT, ab initio, QTAIM, and ELF Study

24 February, 2014 - 12:31

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The Journal of Physical Chemistry ADOI: 10.1021/jp500131z

Ozone Dissociation to Oxygen Affected by Criegee Intermediate

24 February, 2014 - 12:30

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The Journal of Physical Chemistry ADOI: 10.1021/jp4121047

Dimers of Perhaloacetyl Cyanides: CClF2C(O)OC(CN)2CClF2 and CF3C(O)OC(CN) 2CF3. Preparation, Properties, and Spectroscopy

21 February, 2014 - 21:17

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The Journal of Physical Chemistry ADOI: 10.1021/jp4127732

Gas Phase Conformations of Selenocysteine and Related Ions: A Comprehensive Theoretical Study

21 February, 2014 - 17:11

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The Journal of Physical Chemistry ADOI: 10.1021/jp411403w

Carbon Nanohoops: Excited Singlet and Triplet Behavior of [9]- and [12]-Cycloparaphenylene

21 February, 2014 - 17:10

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The Journal of Physical Chemistry ADOI: 10.1021/jp4123562

How Does LCDFT Compare to SAC-CI for the Treatment of Valence and Rydberg Excited States of Organic Compounds?

21 February, 2014 - 17:10

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The Journal of Physical Chemistry ADOI: 10.1021/jp500236c

Dressed Adiabatic and Diabatic Potentials To Study Topological Effects for F + H2

21 February, 2014 - 16:11

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The Journal of Physical Chemistry ADOI: 10.1021/jp412738s

Benzene–Hydrogen Bond (C6H6–HX) Interactions: The Influence of the X Nature on their Strength and Anisotropy

21 February, 2014 - 13:34

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The Journal of Physical Chemistry ADOI: 10.1021/jp410917x

Anomalous Trapped Exciton and d–f Emission in Sr4Al14O25:Eu2+

20 February, 2014 - 21:57

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The Journal of Physical Chemistry ADOI: 10.1021/jp500947q

On Rates and Mechanisms of OH and O3 Reactions with Isoprene-Derived Hydroxy Nitrates

20 February, 2014 - 21:18

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The Journal of Physical Chemistry ADOI: 10.1021/jp4107603

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