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International Journal of Quantum Chemistry
H-index 19

International Journal of Quantum Chemistry

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Chemistry 483 114 149 16

Additional Metrics

Number of Best Scientists*: 194
Documents by Best Scientists*: 231
Top 100 Ranked Scientists*: 9
SCIMAGO H-index: 119
SCIMAGO SJR: 0.384
Impact Factor: 2

Overview

Top Research Topics at International Journal of Quantum Chemistry?

The journal is organized to address concerns in the fields of Computational chemistry, Atomic physics, Quantum mechanics, Molecule and Quantum. Topics in Computational chemistry were tackled in line with various other fields like Crystallography, Molecular physics and Ab initio. Some problems in Atomic physics that were presented in it overlapped with concepts under Ion and Electron, Atomic orbital.

Quantum mechanics study tackled is connected to the field of Mathematical physics. Topics in Molecule explored in the journal were investigated in conjunction with research in Chemical physics and Stereochemistry. Density functional theory research discussed connects with the study of Physical chemistry.

  • Computational chemistry (24.33%)
  • Atomic physics (20.50%)
  • Quantum mechanics (18.71%)

What are the most cited papers published in the journal?

  • Configuration interaction calculations on the nitrogen molecule (2209 citations)
  • A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation (1589 citations)
  • Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study (1367 citations)

Research areas of the most cited articles at International Journal of Quantum Chemistry:

The journal papers cover a variety of subjects, including Computational chemistry, Quantum mechanics, Atomic physics, Density functional theory and Molecule. The Computational chemistry research tackled in the published papers is interrelated with Ab initio which concerns subjects like Electronic correlation. The featured Atomic physics studies in the journal publications mainly concentrate on Basis set but also cover areas of interest in Molecular orbital.

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

  • Quantum mechanics
  • Organic chemistry
  • Enzyme

The previous edition focused in particular on these issues:

The journal investigates areas of study like Density functional theory, Molecular physics, Chemical physics, Condensed matter physics and Photochemistry. The concepts on Density functional theory presented in the journal can also apply to other research fields, including Chemical engineering and Catalysis. The journal connects research in Chemical engineering with the related topic of Adsorption.

The research on Chemical physics discussed in the journal draws on the closely related field of Molecule.

The most cited articles from the last journal are:

  • Machine learning lattice parameters of monoclinic double perovskites (24 citations)
  • Molecular trees with extremal values of Sombor indices (17 citations)
  • Assessing conformer energies using electronic structure and machine learning methods (12 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 International Journal of Quantum Chemistry (based on the number of publications) are:

  • Kizashi Yamaguchi (92 papers) absent at the last edition,
  • Erkki J. Brändas (71 papers) absent at the last edition,
  • Josef Paldus (64 papers) absent at the last edition,
  • Hidemi Nagao (61 papers) absent at the last edition,
  • Joyce J. Kaufman (58 papers) absent at the last 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 International Journal of Quantum Chemistry (based on the number of publications) are:

  • University of Florida (518 papers) absent at the last edition,
  • Uppsala University (265 papers) absent at the last edition,
  • National Autonomous University of Mexico (225 papers) published 7 papers at the last edition, 6 more than at the previous edition,
  • Russian Academy of Sciences (188 papers) published 9 papers at the last edition, 3 more than at the previous edition,
  • University of Waterloo (136 papers) absent at the last 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, 6.70% of publications had an unrecognized affiliation. Out of the publications with recognized affiliations, 8.08% were posted by at least one author from the top 10 institutions publishing in the journal. Another 1.50% included authors affiliated with research institutions from the top 11-20 affiliations. Institutions from the 21-50 range included 5.99% of all publications and 84.43% 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

  • Designing spirobifullerene core based three-dimensional cross shape acceptor materials with promising photovoltaic properties for high-efficiency organic solar cells

    Muhammad Usman Khan;Muhammad Usman Khan;Muhammad Yasir Mehboob;Riaz Hussain;Zainab Afzal

    (2020)
    109 Citations
  • Global optimization of chemical cluster structures: Methods, applications, and challenges

    Jun Zhang;Vassiliki-Alexandra Glezakou

    (2021)
    49 Citations
  • The strength of a chemical bond

    Lili Zhao;Minna Zhi;Gernot Frenking;Gernot Frenking

    (2021)
    45 Citations
  • Quantum‐chemical models of KOH(KOBut)/DMSO superbasic systems and mechanisms of base‐promoted acetylene reactions

    Nadezhda M. Vitkovskaya;Vladimir B. Orel;Vladimir B. Kobychev;Alexander S. Bobkov

    (2020)
    37 Citations
  • Binding energies and isomer distribution of neutral acetonitrile clusters

    Alhadji Malloum;Alhadji Malloum;Jean J. Fifen;Jeanet Conradie

    (2020)
    33 Citations
  • Python implementation of the restrained electrostatic potential charge model

    Asem Alenaizan;Lori A. Burns;C. David Sherrill

    (2020)
    32 Citations
  • Particle formation and surface processes on atmospheric aerosols: A review of applied quantum chemical calculations

    Angelina Leonardi;Heather M. Ricker;Ariel G. Gale;Benjamin T. Ball

    (2020)
    30 Citations
  • Theoretical infrared spectrum of the ethanol hexamer

    Alhadji Malloum;Alhadji Malloum;Jean J. Fifen;Jeanet Conradie

    (2020)
    30 Citations
  • Exploring the potential of tetraazaacene derivatives as photovoltaic materials with enhanced photovoltaic parameters

    Rida Fatima;Rao Aqil Shehzad;Alvina Rasool;Muhammad Yaseen

    (2022)
    28 Citations
  • Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations

    Marisa C. Oliveira;Renan A. P. Ribeiro;Elson Longo;Maurício R. D. Bomio

    (2020)
    28 Citations

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Best Scientists Contributing to This Journal