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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
 



Possible Formation of H3O+ Cations Due to Aluminum Fluoride Interactions with Water

Fri, 26 May 2017 18:44:55 GMT2017-05-26T18:44:55Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03056
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Diels–Alder Cycloaddition of Cyclopentadiene and C60 at the Extreme High Pressure

Fri, 26 May 2017 18:15:12 GMT2017-05-26T18:15:12Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02805
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Thermal Decomposition of Nitromethane and Reaction between CH3 and NO2

Fri, 26 May 2017 18:14:55 GMT2017-05-26T18:14:55Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03715
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Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study

Fri, 26 May 2017 15:51:01 GMT2017-05-26T15:51:01Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03644
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Protonation-Induced Room-Temperature Phosphorescence in Fluorescent Polyurethane

Fri, 26 May 2017 14:19:34 GMT2017-05-26T14:19:34Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01711
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Efficient DLPNO–CCSD(T)-Based Estimation of Formation Enthalpies for C-, H-, O-, and N-Containing Closed-Shell Compounds Validated Against Critically Evaluated Experimental Data

Thu, 25 May 2017 15:24:24 GMT2017-05-25T15:24:24Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03195
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Accurate Anharmonic Zero-Point Energies for Some Combustion-Related Species from Diffusion Monte Carlo

Thu, 25 May 2017 11:15:28 GMT2017-05-25T11:15:28Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03082
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A Computational Exploration of H2S and CO2 Capture by Ionic Liquids Based on α-Amino Acid Anion and N7,N9-Dimethyladeninium Cation

Thu, 25 May 2017 11:15:06 GMT2017-05-25T11:15:06Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01280
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Characterization of the Isothermal Compression Behavior of LLM-172

Wed, 24 May 2017 17:28:20 GMT2017-05-24T17:28:20Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03300
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Quantum Chemical Investigation on Photochemical Reactions of Nonanoic Acids at Air–Water Interface

Wed, 24 May 2017 15:10:03 GMT2017-05-24T15:10:03Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03123
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Electrochemical Oxidation of Phenolic Compounds at Boron-Doped Diamond Anodes: Structure–Reactivity Relationships

Wed, 24 May 2017 15:08:58 GMT2017-05-24T15:08:58Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02630
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Fragmentation of Valence and Core–Shell (Cl 2p) Excited C2Cl4 Molecule

Tue, 23 May 2017 17:06:02 GMT2017-05-23T17:06:02Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02632
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Reactions of Three Lactones with Cl, OD, and O3: Atmospheric Impact and Trends in Furan Reactivity

Mon, 22 May 2017 19:50:11 GMT2017-05-22T19:50:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02325
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Theoretical Study on the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals

Fri, 19 May 2017 18:41:11 GMT2017-05-19T18:41:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03014
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Collisional Intermolecular Energy Transfer from a N2 Bath at Room Temperature to a Vibrationlly “Cold” C6F6 Molecule Using Chemical Dynamics Simulations

Fri, 19 May 2017 18:39:11 GMT2017-05-19T18:39:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00948
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Intermolecular Potentials of Methane Assessed by Second Virial Coefficients, ab Initio Dimer Interaction Energies, and Aggregate Cohesive Energies

Fri, 19 May 2017 18:37:39 GMT2017-05-19T18:37:39Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02135
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Temperature and Pressure Dependences of the Reactions of Fe+ with Methyl Halides CH3X (X = Cl, Br, I): Experiments and Kinetic Modeling Results

Fri, 19 May 2017 18:37:04 GMT2017-05-19T18:37:04Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02415
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Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms: The Implications for Sympathetic Cooling

Fri, 19 May 2017 13:58:11 GMT2017-05-19T13:58:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b01523
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Structural Motifs of [Fe(CO2)n]− Clusters (n = 3–7)

Fri, 19 May 2017 13:30:11 GMT2017-05-19T13:30:11Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02742
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Role of the C(2)–H Hydrogen Bond Donor in Gas-Phase Microsolvation of Imidazole Derivatives with ROH (R = CH3, C2H5)

Fri, 19 May 2017 12:04:05 GMT2017-05-19T12:04:05Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03329
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Theoretical Study of the Pair-Correlated F + CHD3(v = 0,ν1 = 1) Reaction: Effect of CH Stretching Vibrational Excitation

Fri, 19 May 2017 10:57:24 GMT2017-05-19T10:57:24Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02665
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Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal–Organic Frameworks

Thu, 18 May 2017 18:48:14 GMT2017-05-18T18:48:14Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00076
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Dissociative Recombination of Acetone Fragments, Adducts, and Dimer Ions

Thu, 18 May 2017 18:47:05 GMT2017-05-18T18:47:05Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00987
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Exploring Systematic Discrepancies in DFT Calculations of Chlorine Nuclear Quadrupole Couplings

Thu, 18 May 2017 18:30:24 GMT2017-05-18T18:30:24Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02810
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Periodic Dispersion-Corrected Approach for Isolation Spectroscopy of N2 in an Argon Environment: Clusters, Surfaces, and Matrices

Thu, 18 May 2017 18:28:52 GMT2017-05-18T18:28:52Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b00093
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Effect of Fluorination on the Competition of Halogen Bonding and Hydrogen Bonding: Complexes of Fluoroiodomethane with Dimethyl Ether and Trimethylamine

Thu, 18 May 2017 14:31:46 GMT2017-05-18T14:31:46Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03206
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Shedding Light on the Accuracy of Optimally Tuned Range-Separated Approximations for Evaluating Oxidation Potentials

Wed, 17 May 2017 14:23:15 GMT2017-05-17T14:23:15Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b03811
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H2 Oxidation Mediated by Au1-Doped Vanadium Oxide Cluster Cation AuV2O5+: A Comparative Study with AuCe2O4+

Tue, 16 May 2017 19:28:12 GMT2017-05-16T19:28:12Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.7b02435
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Value of NMR Parameters and DFT Calculations for Quantum Information Processing Utilizing Phosphorus Heterocycles

Thu, 04 May 2017 15:35:29 GMT2017-05-04T15:35:29Z

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The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.6b12728
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