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

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: A fixed relation of α × β = 1.397 between the α- and β-parameters of a Lorentz function and a Laplace function that approximates nonadiabatic coupling terms and maximizes the overlap area between the two functions was found. The mixing angle corresponding to the geometric average between the potential couplings calculated using the individual path-integral of the two functions was then used in the construction of diabatic states and the coupling of the states. Employing the new method, the actual computation of nonadiabatic coupling terms at just a few geometries before and after the guessed conical intersection is enough, and the remaining steps are straightforward and almost automatic. The new method was tested for the one-dimensional LiF system and the two-dimensional space of the collinear case of NH3Cl, and promising results were achieved.
    The Journal of Chemical Physics 11/2015; 143(19):194102. DOI:10.1063/1.4935607
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    ABSTRACT: We present a comparative ab initio study of Li, Na, and Mg storage in tin, including phononic effects and phase competition between alpha and beta Sn. Mg doping at low concentration is found to stabilize the beta phase. On the contrary, Li and Na doping is shown to reverse the stability of the phases at room temperature: Li/Na-doped alpha-Sn is more stable than Li/Na-doped beta-Sn up to a temperature of around 380/400 K. This may rationalize the formation of alpha-Sn upon lithiation and delithiation of beta-Sn anodes reported in experimental studies. The changes in phase stability with Li/Na/Mg doping are directly related to the intercalation energies of Li/Na/Mg in one phase versus the other: at 300 K, Li/Na is easier intercalated in alpha-Sn (-0.37/-0.08 eV) than in beta-Sn (0.06/0.49 eV), while Mg intercalation energy is, although positive (i.e. unfavored intercalation), lower in beta-Sn (0.53 eV) than in alpha-Sn (0.66 eV). The temperature effect is found to affect significantly the intercalation energy, by up to 0.13 eV at 300 K. Analysis of diffusion barriers shows that Li, Na, and Mg diffusion in beta-Sn is anisotropic with migration barriers along the (001) direction (respectively 0.01, 0.22, and 0.07 eV) significantly lower than those in alpha-Sn (respectively 0.20, 0.52, and 0.40 eV).
    The Journal of Chemical Physics 11/2015;
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    ABSTRACT: We construct a one-body variational theory for the time evolution of nonrelativistic quantum many-body systems. The position- and time-dependent one-body density, particle current, and time derivative of the current act as three variational fields. The generating (power rate) functional is minimized by the true current time derivative. The corresponding Euler-Lagrange equation, together with the continuity equation for the density, forms a closed set of one-body equations of motion. Space- and time-nonlocal one-body forces are generated by the superadiabatic contribution to the functional. The theory applies to many-electron systems.
    The Journal of Chemical Physics 11/2015; 143(17):174108. DOI:10.1063/1.4934881
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    ABSTRACT: Excited-state descriptors based on the one-particle transition density matrix referring to the exciton picture have been implemented for time-dependent density functional theory. State characters such as local, extended ππ(∗), Rydberg, or charge transfer can be intuitively classified by simple comparison of these descriptors. Strong effects of the choice of the exchange-correlation kernel on the physical nature of excited states can be found and decomposed in detail leading to a new perspective on functional performance and the design of new functionals.
    The Journal of Chemical Physics 11/2015; 143(17):171101. DOI:10.1063/1.4935178
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    ABSTRACT: While steric crowders tend to stabilize globular proteins, it has been found that protein crowders can have an either stabilizing or destabilizing effect, where a destabilization may arise from nonspecific attractive interactions between the test protein and the crowders. Here, we use Monte Carlo replica-exchange methods to explore the equilibrium behavior of the miniprotein trp-cage in the presence of protein crowders. Our results suggest that the surrounding crowders prevent trp-cage from adopting its global native fold, while giving rise to a stabilization of its main secondary-structure element, an α-helix. With the crowding agent used (bovine pancreatic trypsin inhibitor), the trp-cage-crowder interactions are found to be specific, involving a few key residues, most of which are prolines. The effects of these crowders are contrasted with those of hard-sphere crowders.
    The Journal of Chemical Physics 11/2015; 143(17):175102. DOI:10.1063/1.4934997
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    ABSTRACT: Ultrahigh quantum yields of intersystem crossing to the lowest triplet state T1 are observed for 2-thiouracils (2TU), which is in contrast to the natural uracils that predominantly exhibit ultrafast internal conversion to the ground state upon excitation to the singlet excited state. The intersystem crossing mechanism of 2TU has recently been investigated using second-order perturbation methods with a high-level complete-active space self-consistent field. Three competitive nonadiabatic pathways to the lowest triplet state T1 from the initially populated singlet excited state S2 were proposed. We investigate the initial decay dynamics of 2TU from the light absorbing excited states using resonance Raman spectroscopy, time-dependent wave-packet theory in the simple model, and complete-active space self-consistent field (CASSCF) and time dependent-Becke's three-parameter exchange and correlation functional with the Lee-Yang-Parr correlation functional (TD-B3LYP) calculations. The obtained short-time structural dynamics in easy-to-visualize internal coordinates were compared with the CASSCF(16,11) predicted key nonadiabatic decay routes. Our results indicate that the predominant decay pathway initiated at the Franck-Condon region is toward the S2/S1 conical intersection point and S2T3 intersystem crossing point, but not toward the S2T2 intersystem crossing point.
    The Journal of Chemical Physics 11/2015; 143(17):175103. DOI:10.1063/1.4935047
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    ABSTRACT: In a combined photoelectron spectroscopic and computational study of (M-CO2)(-), M = Au, Ag, Cu, anionic complexes, we show that (Au-CO2)(-) forms both the chemisorbed and physisorbed isomers, AuCO2 (-) and Au(-)(CO2), respectively; that (Ag-CO2)(-) forms only the physisorbed isomer, Ag(-)(CO2); and that (Cu-CO2)(-) forms only the chemisorbed isomer, CuCO2 (-). The two chemisorbed complexes, AuCO2 (-) and CuCO2 (-), are covalently bound, formate-like anions, in which their CO2 moieties are significantly reduced. These two species are examples of electron-induced CO2 activation. The two physisorbed complexes, Au(-)(CO2) and Ag(-)(CO2), are electrostatically and thus weakly bound.
    The Journal of Chemical Physics 11/2015; 143(17):174305. DOI:10.1063/1.4935061
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    ABSTRACT: The low-lying electronic states of Yb isolated in a solid Ar matrix grown at 4.2 K are characterized through absorption and emission spectroscopy. Yb atoms are found to occupy three distinct thermally stable trapping sites labeled "red," "blue," and "violet" according to the relative positions of the absorption features they produce. Classical simulations of the site structure and relative stability broadly reproduced the experimentally observed matrix-induced frequency shifts and thus identified the red, blue, and violet sites as due to respective single substitutional (ss), tetravacancy ( tv ), and hexavacancy ( hv ) occupation. Prolonged excitation of the (1)S → (1)P transition was found to transfer the Yb population from hv sites into tv and ss sites. The process showed reversibility in that annealing to 24 K predominantly transferred the tv population back into hv sites. Population kinetics were used to deduce the effective rate parameters for the site transformation processes. Experimental observations indicate that the blue and violet sites lie close in energy, whereas the red one is much less stable. Classical simulations identify the blue site as the most stable one.
    The Journal of Chemical Physics 11/2015; 143(17):174306. DOI:10.1063/1.4934999
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    ABSTRACT: This paper is the first application of the tensor-train (TT) cross approximation procedure for potential energy surface fitting. In order to reduce the complexity, we combine the TT-approach with another technique recently introduced in the field of numerical analysis: an affine transformation of Cartesian coordinates into the active subspaces where the PES function has the most variability. The numerical experiments for the water molecule and for the nitrous acid molecule confirm the efficiency of this approach.
    The Journal of Chemical Physics 11/2015; 143(17):174107. DOI:10.1063/1.4935017