The Journal of Chemical Physics Impact Factor & Information

Publisher: American Institute of Physics, American Institute of Physics

Journal description

The purpose of The Journal of Chemical Physics is to bridge a gap between journals of physics and journals of chemistry by publishing quantitative research based on physical principles and techniques, as applied to "chemical" systems. Just as the fields of chemistry and physics have expanded, so have chemical physics subject areas, which include polymers, materials, surfaces/interfaces, and biological macromolecules, along with the traditional small molecule and condensed phase systems. The Journal of Chemical Physics (JCP) is published four times per month (48 issues per year) by the American Institute of Physics.

Current impact factor: 2.95

Impact Factor Rankings

2015 Impact Factor Available summer 2016
2014 Impact Factor 2.952
2013 Impact Factor 3.122
2012 Impact Factor 3.164
2011 Impact Factor 3.333
2010 Impact Factor 2.92
2009 Impact Factor 3.093
2008 Impact Factor 3.149
2007 Impact Factor 3.044
2006 Impact Factor 3.166
2005 Impact Factor 3.138
2004 Impact Factor 3.105
2003 Impact Factor 2.95
2002 Impact Factor 2.998
2001 Impact Factor 3.147
2000 Impact Factor 3.301
1999 Impact Factor 3.289
1998 Impact Factor 3.147
1997 Impact Factor 3.247
1996 Impact Factor 3.516
1995 Impact Factor 3.61
1994 Impact Factor 3.635
1993 Impact Factor 3.615
1992 Impact Factor 3.433

Impact factor over time

Impact factor

Additional details

5-year impact 3.02
Cited half-life >10.0
Immediacy index 0.73
Eigenfactor 0.18
Article influence 0.92
Website Journal of Chemical Physics, The website
Other titles Journal of chemical physics (Online), Journal of chemical physics online
ISSN 1089-7690
OCLC 35131029
Material type Document, Periodical, Internet resource
Document type Internet Resource, Computer File, Journal / Magazine / Newspaper

Publisher details

American Institute of Physics

  • Pre-print
    • Author can archive a pre-print version
  • Post-print
    • Author can archive a post-print version
  • Conditions
    • Author's post-print on free e-print servers or arXiv
    • Publishers version/PDF may be used on author's personal website, institutional website or institutional repository
    • Must link to publisher version or journal home page
    • Publisher copyright and source must be acknowledged with set statement (see policy)
    • NIH-funded articles are automatically deposited with PubMed Central with open access after 12 months
    • For Medical Physics see AAPM policy
    • This policy does not apply to Physics Today
    • Publisher last contacted on 27/09/2013
    • Publisher last reviewed on 13/04/2015
  • Classification
    ​ green

Publications in this journal

  • David Leitner · Hari Datt Pandey
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    ABSTRACT: Ultrafast IR-Raman experiments on substituted benzenes [B. C. Pein et al., J. Phys. Chem. B 117, 10898–10904 (2013)] reveal that energy can flow more efficiently in one direction along a molecule than in others. We carry out a computational study of energy flow in the three alkyl benzenes, toluene, isopropylbenzene, and t-butylbenzene, studied in these experiments, and find an asymmetry in the flow of vibrational energy between the two chemical groups of the molecule due to quantum mechanical vibrational relaxation bottlenecks, which give rise to a preferred direction of energy flow. We compare energy flow computed for all modes of the three alkylbenzenes over the relaxation time into the liquid with energy flow through the subset of modes monitored in the time-resolved Raman experiments and find qualitatively similar results when using the subset compared to all the modes
    The Journal of Chemical Physics 10/2015; 143(144301). DOI:10.1063/1.4932227
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    ABSTRACT: The rotational spectrum of the cyclopropanecarboxylic acid–formic acid doubly hydrogen bonded dimer has been measured in the 4-11 GHz region using a Flygare-Balle type pulsed-beam Fourier transform microwave spectrometer. Rotational transitions were measured for the parent, four unique singly substituted 13C isotopologues, and a singly deuterated isotopologue. Splittings due to a possible concerted double proton tunneling motion were not observed. Rotational constants (A, B, and C) and centrifugal distortion constants (DJ and DJK ) were determined from the measured transitions for the dimer. The values of the rotational (in MHz) and centrifugal distortion constants (in kHz) for the parent isotopologue are A = 4045.4193(16), B = 740.583 80(14), C = 658.567 60(23), DJ = 0.0499(16), and DJK = 0.108(14). A partial gas phase structure of the dimer was derived from the rotational constants of the measured isotopologues, previous structural work on each monomer units and results of the calculations.
    The Journal of Chemical Physics 09/2015; 143(124311). DOI:10.1063/1.4931923
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    ABSTRACT: Tailoring the nature of individual segments within ion containing block co-polymers is one critical design tool to achieve desired properties. The local structure including the size and distribution of the ionic blocks, as well as the long range correlations, are crucial for their transport ability. Here, we present molecular dynamics simulations on the effects of varying the concentrations of the ionizable groups on the conformations of pentablock ionomer that consist of a center block of ionic sulfonated styrene tethered to polyethylene and terminated by a bulky substituted styrene in dilute solutions. Sulfonation fractions f (0 ≤ f ≤ 0.55), spanning the range from ionomer to polyelectrolytes, were studied. Results for the equilibrium conformation of the chains in water and a 1:1 mixture of cyclohexane and heptane are compared to that in implicit poor solvents with dielectric constants ε = 1.0 and 77.73. In water, the pentablock collapses with the sulfonated groups on the outer surface. As f increases, the ionic, center block increasingly segregates from the hydrophobic regions. In the 1:1 mixture of cyclohexane and heptane, the flexible blocks swell, while the center ionic block collapses for f > 0. For f = 0, all blocks swell. In both implicit poor solvents, the pentablock collapses into a nearly spherical shape for all f. The sodium counterions disperse widely throughout the simulation cell for both water and ε = 77.73, whereas for ε = 1.0 and mixture of cyclohexane and heptane, the counterions largely condense onto the collapsed pentablock.
    The Journal of Chemical Physics 09/2015; 143(12):124205. DOI:10.1063/1.4931657
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    ABSTRACT: For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn2 Mo 3O8, this approach allows direct assignment of the constrained rotational mode of Mo 3O13 clusters and internal modes of MoO6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems.
    The Journal of Chemical Physics 09/2015; 143:124201. DOI:10.1063/1.4930607
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    ABSTRACT: Up until now, gas permeation through polymers under high pressure has not been able to be measured continuously. The combination of a special high pressure cell and a commercially available fluorescence-based oxygen measurement system allows in-situ monitoring of oxygen permeation through a polymer sample under pressure in an aqueous environment. The principle of the oxygen sensor is based on dynamic fluorescence quenching and measurement of the fluorescence decay time. It was observed that the decay time increases non-linearly with the applied pressure, and hence, the displayed oxygen concentration has to be corrected. This deviation between the measured and the real concentration depends not only on the pressure but also on the absolute oxygen concentration in the water. To obtain a calibration curve, tests were performed in the pressure range between 1 and 2000 bars and initial oxygen concentrations in the range between 40 and 280 μmol/l. The polynomial calibration curve was of the fourth order, describing the raw data with a coefficient of determination R2 > 0.99. The effective oxygen permeation through polymeric samples can be calculated with this function. A pressure hysteresis test was undertaken but no hysteresis was found. No temperature dependence of the oxygen sensor signal was observed in the range between 20 °C and 30 °C. This study presents for the first time data showing the oxygen permeation rates through a polyethylene film in the pressure range between 1 and 2000 bars at 23 °C.
    The Journal of Chemical Physics 09/2015; 143(114201). DOI:10.1063/1.4931399
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    ABSTRACT: Dissociative double-photoionization of butadiene in the 25-45 eV energy range has been studied with tunable synchrotron radiation using full three-dimensional ion momentum imaging. Using ab initio calculations, the electronic states of the molecular dication below 33 eV are identified. The results of the measurement and calculation show that double ionization from π orbitals selectively triggers twisting about the terminal or central C–C bonds. We show that this conformational rearrangement depends upon the dication electronic state, which effectively acts as a gateway for the dissociation reaction pathway. For photon energies above 33 eV, three-body dissociation channels where neutral H-atom evaporation precedes C–C charge-separation in the dication species appear in the correlation map. The fragment angular distributions support a model where the dication species is initially aligned with the molecular backbone parallel to the polarization vector of the light, indicating a high probability for double-ionization to the “gateway states” for molecules with this orientation.
    The Journal of Chemical Physics 09/2015; 143(11):114309. DOI:10.1063/1.4931104
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    ABSTRACT: One-dimensional (1D) solids exhibit a number of striking electronic structures including charge-density wave (CDW) and spin-density wave (SDW). Also, the Peierls theorem states that at zero temperature, a 1D system predicted by simple band theory to be a metal will spontaneously dimerize and open a finite fundamental bandgap, while at higher temperatures, it will assume the equidistant geometry with zero bandgap (a Peierls transition). We computationally study these unique electronic structures and transition in polyyne and all-trans polyacetylene using finite-temperature generalizations of ab initio spin-unrestricted Hartree-Fock (UHF) and spin-restricted coupled-cluster doubles (CCD) theories, extending upon previous work [He et al., J. Chem. Phys. 140, 024702 (2014)] that is based on spin-restricted Hartree-Fock (RHF) and second-order many-body perturbation (MP2) theories. Unlike RHF, UHF can predict SDW as well as CDW and metallic states, and unlike MP2, CCD does not diverge even if the underlying RHF reference wave function is metallic. UHF predicts a gapped SDW state with no dimerization at low temperatures, which gradually becomes metallic as the temperature is raised. CCD, meanwhile, confirms that electron correlation lowers the Peierls transition temperature. Furthermore, we show that the results from all theories for both polymers are subject to a unified interpretation in terms of the UHF solutions to the Hubbard-Peierls model using different values of the electron-electron interaction strength, U/t, in its Hamiltonian. The CCD wave function is shown to encompass the form of the exact solution of the Tomonaga-Luttinger model and is thus expected to describe accurately the electronic structure of Luttinger liquids.
    The Journal of Chemical Physics 09/2015; 143(10):102818. DOI:10.1063/1.4930024