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Journal of Physical Chemistry A
H-index 44

Journal of Physical Chemistry A

1089-5639

Published by: ACS Publications

https://pubs.acs.org/journal/jpcafh

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Chemistry 168 1032 2134 40

Additional Metrics

Number of Best Scientists*: 1385
Documents by Best Scientists*: 2387
Top 100 Ranked Scientists*: 41
SCIMAGO H-index: 266
SCIMAGO SJR: 0.634
Impact Factor: 2.8

Overview

Top Research Topics at Journal of Physical Chemistry A?

Journal of Physical Chemistry A covers a variety of subjects, including Photochemistry, Computational chemistry, Molecule, Atomic physics and Analytical chemistry. Journal of Physical Chemistry A addresses concerns in the field of Photochemistry by exploring it in line with topics in Excited state which intersect with Ground state subjects. The journal focuses on Computational chemistry but the discussions also offer insight into other areas such as Molecular physics, Ab initio and Physical chemistry.

Research on Ab initio addressed in Journal of Physical Chemistry A frequently intersections with the field of Ab initio quantum chemistry methods. The journal facilitates discussions on Molecule that incorporate concepts from other fields like Crystallography, Inorganic chemistry, Chemical physics and Infrared spectroscopy. The study of Hydrogen bond and how it intertwines with concepts under Intramolecular force were explored in the presented Crystallography research.

Inorganic chemistry and Aqueous solution are closely related fields of research discussed in the journal. The presented research on Atomic physics deals specifically with Ion but it also addresses topics in Dissociation (chemistry). The Analytical chemistry works featured in Journal of Physical Chemistry A incorporate elements from Spectroscopy and Spectral line.

  • Photochemistry (20.74%)
  • Computational chemistry (19.72%)
  • Molecule (19.23%)

What are the most cited papers published in the journal?

  • Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model (6416 citations)
  • ReaxFF: A Reactive Force Field for Hydrocarbons (3201 citations)
  • Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms (2244 citations)

Research areas of the most cited articles at Journal of Physical Chemistry A:

The journal papers investigate studies in Photochemistry, Computational chemistry, Molecule, Atomic physics and Analytical chemistry. The study of Photochemistry in the most cited publications encompasses disciplines such as Excited state, as well as fields such as Ground state, all of which overlap with one another. The studies on Computational chemistry discussed at the published papers can also contribute to research in the domains of Crystallography, Ab initio and Hydrogen bond.

What topics the last edition of the journal is best known for?

  • Organic chemistry
  • Quantum mechanics
  • Catalysis

The previous edition focused in particular on these issues:

Journal of Physical Chemistry A focuses on Molecule, Density functional theory, Molecular physics, Excited state and Chemical physics. Topics in Molecule explored in it were investigated in conjunction with research in Crystallography, Computational chemistry and Ring (chemistry). Aside from discussions in Crystallography, the journal also deals with the subject of Ion which intersects with Electron disciplines.

The concepts on Density functional theory presented in Journal of Physical Chemistry A can also apply to other research fields, including Physical chemistry, Ab initio and Cluster (physics). Excited state research presented in the journal encompasses a variety of subjects, including Photochemistry, Excitation and Ground state. Photochemistry study tackled is connected to the field of Radical.

The most cited articles from the last journal are:

  • First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride. (16 citations)
  • Autonomous Discovery of Unknown Reaction Pathways from Data by Chemical Reaction Neural Network. (15 citations)
  • Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices. (15 citations)

Papers citation over time

A key indicator for each journal is its effectiveness in reaching other researchers with the papers published at that venue.

The chart below presents the interquartile range (first quartile 25%, median 50% and third quartile 75%) of the number of citations of articles over time.

The top authors publishing in Journal of Physical Chemistry A (based on the number of publications) are:

  • Lester Andrews (189 papers) published 1 paper at the last edition,
  • David A. Dixon (143 papers) published 5 papers at the last edition, 6 less than at the previous edition,
  • Henry F. Schaefer (134 papers) published 2 papers at the last edition the same number as at the previous edition,
  • Mingfei Zhou (131 papers) published 1 paper at the last edition the same number as at the previous edition,
  • Mark S. Gordon (126 papers) published 3 papers at the last edition, 1 more than at the previous edition.

The overall trend for top authors publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top authors.

Only papers with recognized affiliations are considered

The top affiliations publishing in Journal of Physical Chemistry A (based on the number of publications) are:

  • Max Planck Society (478 papers) published 12 papers at the last edition, 8 more than at the previous edition,
  • Chinese Academy of Sciences (475 papers) published 16 papers at the last edition, 18 less than at the previous edition,
  • Centre national de la recherche scientifique (335 papers) published 4 papers at the last edition, 10 less than at the previous edition,
  • Spanish National Research Council (312 papers) published 6 papers at the last edition, 1 less than at the previous edition,
  • Kyoto University (293 papers) published 8 papers at the last edition, 1 less than at the previous edition.

The overall trend for top affiliations publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top affiliations.

Publication chance based on affiliation

The publication chance index shows the ratio of articles published by the best research institutions in the journal edition to all articles published within that journal. The best research institutions were selected based on the largest number of articles published during all editions of the journal.

The chart below presents the percentage ratio of articles from top institutions (based on their ranking of total papers).Top affiliations were grouped by their rank into the following tiers: top 1-10, top 11-20, top 21-50, and top 51+. Only articles with a recognized affiliation are considered.

During the most recent 2021 edition, 3.47% of publications had an unrecognized affiliation. Out of the publications with recognized affiliations, 9.51% were posted by at least one author from the top 10 institutions publishing in the journal. Another 6.03% included authors affiliated with research institutions from the top 11-20 affiliations. Institutions from the 21-50 range included 15.20% of all publications and 69.26% were from other institutions.

Returning Authors Index

A very common phenomenon observed among researchers publishing scientific articles is the intentional selection of journals they have already attended in the past. In particular, it is worth analyzing the case when the authors participate in the same journal from year to year.

The Returning Authors Index presented below illustrates the ratio of authors who participated in both a given as well as the previous edition of the journal in relation to all participants in a given year.

Returning Institution Index

The graph below shows the Returning Institution Index, illustrating the ratio of institutions that participated in both a given and the previous edition of the conference in relation to all affiliations present in a given year.

The experience to innovation index

Our experience to innovation index was created to show a cross-section of the experience level of authors publishing in a journal. The index includes the authors publishing at the last edition of a journal, grouped by total number of publications throughout their academic career (P) and the total number of citations of these publications ever received (C).

The group intervals were selected empirically to best show the diversity of the authors' experiences, their labels were selected as a convenience, not as judgment. The authors were divided into the following groups:

  • Novice - P < 5 or C < 25 (the number of publications less than 5 or the number of citations less than 25),
  • Competent - P < 10 or C < 100 (the number of publications less than 10 or the number of citations less than 100),
  • Experienced - P < 25 or C < 625 (the number of publications less than 25 or the number of citations less than 625),
  • Master - P < 50 or C < 2500 (the number of publications less than 50 or the number of citations less than 2500),
  • Star - P ≥ 50 and C ≥ 2500 (both the number of publications greater than 50 and the number of citations greater than 2500).

The chart below illustrates experience levels of first authors in cases of publications with multiple authors.

Top Publications

  • Performance and Cost Assessment of Machine Learning Interatomic Potentials.

    Yunxing Zuo;Chi Chen;Xiangguo Li;Zhi Deng

    (2020)
    890 Citations
  • New Way for Probing Bond Strength

    Johanna Klein;Hassan Khartabil;Jean-Charles Boisson;Julia Contreras-García

    (2020)
    237 Citations
  • Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems

    Dimitrios G. Liakos;Yang Guo;Frank Neese

    (2020)
    230 Citations
  • Efficient Quantum Chemical Calculation of Structure Ensembles and Free Energies for Nonrigid Molecules.

    Stefan Grimme;Fabian Bohle;Andreas Hansen;Philipp Pracht

    (2021)
    172 Citations
  • How to VPT2: Accurate and Intuitive Simulations of CH Stretching Infrared Spectra Using VPT2+K with Large Effective Hamiltonian Resonance Treatments.

    Peter R Franke;Peter R Franke;John F Stanton;Gary E Douberly

    (2021)
    116 Citations
  • An Aromatic Universe-A Physical Chemistry Perspective.

    Ralf I Kaiser;Nils Hansen

    (2021)
    86 Citations
  • Diabatic States of Molecules.

    (2022)
    81 Citations
  • Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset.

    Gabriel A. Pinheiro;Johnatan Mucelini;Marinalva D. Soares;Ronaldo C. Prati

    (2020)
    80 Citations
  • The Local Vibrational Mode Theory and Its Place in the Vibrational Spectroscopy Arena.

    (2022)
    74 Citations
  • A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra.

    Conor D. Rankine;Marwah M. M. Madkhali;Marwah M. M. Madkhali;Thomas James Penfold

    (2020)
    72 Citations

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Best Scientists Contributing to This Journal