J. Phys. Chem. A

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Origin of Kinetic Instability of Fullerenes That Violate the Isolated Pentagon Rule

17 March, 2015 - 18:44

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b00112

Laser-Driven Isomerization of HCN → HNC: The Importance of Rotational Excitation

17 March, 2015 - 14:40

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The Journal of Physical Chemistry ADOI: 10.1021/jp511440w

The Nature and Role of the Gold–Krypton Interactions in Small Neutral Gold Clusters

17 March, 2015 - 13:28

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The Journal of Physical Chemistry ADOI: 10.1021/jp513021q

Initial Mechanisms for the Decomposition of Electronically Excited Energetic Salts: TKX-50 and MAD-X1

17 March, 2015 - 13:17

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The Journal of Physical Chemistry ADOI: 10.1021/jp510995z

Intramolecular Vibrations in Low-Frequency Normal Modes of Amino Acids: l-Alanine in the Neat Solid State

17 March, 2015 - 13:02

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The Journal of Physical Chemistry ADOI: 10.1021/jp512164y

X-ray Accelerated Photo-Oxidation of As(III) in Solution

17 March, 2015 - 04:40

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The Journal of Physical Chemistry ADOI: 10.1021/jp510596p

Nitric Oxide Reduction to Ammonia by TiO2 Electrons in Colloid Solution via Consecutive One-Electron Transfer Steps

16 March, 2015 - 20:01

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The Journal of Physical Chemistry ADOI: 10.1021/jp5102863

Prediction of the pKa’s of Aqueous Metal Ion +2 Complexes

16 March, 2015 - 17:32

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The Journal of Physical Chemistry ADOI: 10.1021/jp5118272

Ab Initio Water Pair Potential with Flexible Monomers

16 March, 2015 - 12:31

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The Journal of Physical Chemistry ADOI: 10.1021/jp512847z

The Molecular Structure of Aqueous Hg(II)-EDTA As Determined by X-ray Absorption Spectroscopy

13 March, 2015 - 20:20

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b00343

Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals

13 March, 2015 - 19:32

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The Journal of Physical Chemistry ADOI: 10.1021/jp512349r

Double-Inversion Mechanisms of the X– + CH3Y [X,Y = F, Cl, Br, I] SN2 Reactions

13 March, 2015 - 14:46

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b00988

Geometry Dependence of Electronic and Energetic Properties of One-Dimensional Peanut-Shaped Fullerene Polymers

13 March, 2015 - 14:33

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The Journal of Physical Chemistry ADOI: 10.1021/jp512451u

Statistical Electronic Structure Calibration Study of the CCSD(T*)-F12b Method for Atomization Energies

13 March, 2015 - 14:33

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b00487

Slow Photoelectron Velocity-Map Imaging Spectroscopy of the ortho-Hydroxyphenoxide Anion

13 March, 2015 - 04:09

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b00768

P···N Pnicogen Bonds in Cationic Complexes of F4P+ and F3HP+ with Nitrogen Bases

12 March, 2015 - 19:03

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b00944

Reactions of State-Selected Atomic Oxygen Ions O+(4S, 2D, 2P) with Methane

12 March, 2015 - 18:09

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The Journal of Physical Chemistry ADOI: 10.1021/jp512846v

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