J. Phys. Chem. A

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Keto–Enol Tautomerism of Phenindione and Its Derivatives: An NMR and Density Functional Theory (DFT) Reinvestigation

11 February, 2015 - 20:13

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The Journal of Physical Chemistry ADOI: 10.1021/jp512461c

Temperature and Pressure Dependence of the Reaction S + CS (+M) → CS2 (+M)

11 February, 2015 - 12:42

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The Journal of Physical Chemistry ADOI: 10.1021/jp5121492

Mechanism of Samarium-Catalyzed 1,5-Regioselective Azide–Alkyne [3 + 2]-Cycloaddition: A Quantum Mechanical Investigation

11 February, 2015 - 06:11

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The Journal of Physical Chemistry ADOI: 10.1021/jp5104615

Experimental and Theoretical Study on the Thermal Decomposition of C3H6 (Propene)

10 February, 2015 - 21:39

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The Journal of Physical Chemistry ADOI: 10.1021/jp5102169

Relationship between Dipole Moments and Harmonic Vibrational Frequencies in Diatomic Molecules

10 February, 2015 - 21:39

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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.5b00993

Ab Initio Study of the Reaction of Ozone with Bromide Ion

10 February, 2015 - 20:58

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The Journal of Physical Chemistry ADOI: 10.1021/jp5101279

Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2

10 February, 2015 - 20:39

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The Journal of Physical Chemistry ADOI: 10.1021/jp512432q

Calculation of Solvation Free Energies with DCOSMO-RS

10 February, 2015 - 19:19

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The Journal of Physical Chemistry ADOI: 10.1021/jp511158y

Physical and Thermodynamic Properties of AlnCm Clusters: Quantum-Chemical Study

10 February, 2015 - 17:04

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The Journal of Physical Chemistry ADOI: 10.1021/jp5108087

VUV Photoionization Cross Sections of HO2, H2O2, and H2CO

10 February, 2015 - 15:18

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The Journal of Physical Chemistry ADOI: 10.1021/jp508942a

Prediction Uncertainty of Density Functional Approximations for Properties of Crystals with Cubic Symmetry

10 February, 2015 - 05:40

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The Journal of Physical Chemistry ADOI: 10.1021/jp509980w

Dissociative Photoionization of Quinoline and Isoquinoline

9 February, 2015 - 13:04

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The Journal of Physical Chemistry ADOI: 10.1021/jp5121993

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