Chemistry papers

Pofolia organises Chemistry into 6 subfields: 522 papers in total (1866–2026), each with a short summary. The subfields come first, then the most-cited work across the whole field.

Subfields

• Analytical Chemistry 64 papers
• Electrochemistry 70 papers
• Physical and Theoretical Chemistry 84 papers
• Inorganic Chemistry 105 papers
• Organic Chemistry 115 papers
• Spectroscopy 84 papers

At a glance

• Most cited: GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers (2015, 27,148 citations).
• The 12 papers listed have 148,185 citations between them.
• 8 of the 10 with a known journal quartile appeared in a Q1 journal.
• 4 have a free full text (open access).
• Most frequent journals: Science, Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, Chemical Reviews.
• Published between 1985 and 2017.

Most cited across the field

Ranked by citation count. Because citations accumulate over time, this list naturally leans towards work published a few years ago; for where the field is now, see “recently added”. How to read the signals

• GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

  SoftwareX · 2015 · Q2 · 27,148 citations · Open access

  GROMACS version 5 achieves new performance heights in molecular simulations by implementing multi-level parallelization algorithms across SIMD, multithreading, CPU-GPU acceleration, domain decomposition, and ensemble-level parallelism.

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• The Chemistry and Applications of Metal-Organic Frameworks

  Science · 2013 · Q1 · SJR 10.00 · FWCI 238.09 · 16,651 citations

  Metal-organic frameworks (MOFs) are highly porous crystalline materials, exceeding 20,000 reported structures, with surface areas up to 10,000 m²/g, making them superior to traditional porous materials for various applications.

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• Tissue-based map of the human proteome

  Science · 2015 · Q1 · SJR 10.00 · FWCI 374.62 · 16,073 citations

  Researchers have created a comprehensive map of the human tissue proteome, detailing protein presence and localization across 32 tissues and organs using an integrated omics approach.

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• CRC Handbook of Chemistry and Physics

  2016 · FWCI 174.50 · 13,961 citations

  The 97th edition of the CRC Handbook of Chemistry and Physics is now available, featuring 20 new or updated tables and expanded content, continuing its legacy as a leading scientific reference.

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• Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

  Journal of the American Chemical Society · 1985 · Q1 · SJR 5.00 · FWCI 86.97 · 13,108 citations

  The AM1 method is introduced as a new, general-purpose quantum mechanical molecular model that significantly improves upon the previous Austin 1 (AM1) model.

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• The Cambridge Structural Database

  Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · Q2 · FWCI 1174.97 · 10,167 citations · Open access

  The Cambridge Structural Database (CSD) is a comprehensive, 50-year-old repository of organic and metal-organic small-molecule crystal structures, serving as the primary platform for sharing structural chemistry data.

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• Principal component analysis: a review and recent developments

  Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2016 · Q1 · FWCI 128.99 · 9,582 citations · Open access

  Principal Component Analysis (PCA) is a technique that reduces the dimensionality of large datasets by creating new, uncorrelated variables that maximize variance, thereby increasing interpretability while minimizing information loss.

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• Visible Light Photoredox Catalysis with Transition Metal Complexes: Applications in Organic Synthesis

  Chemical Reviews · 2013 · Q1 · SJR 16.00 · FWCI 218.39 · 9,451 citations

  This review details the burgeoning field of visible light photoredox catalysis, highlighting how transition metal complexes can harness light energy to drive a wide array of organic transformations.

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• Free Radicals in Biology and Medicine

  Oxford University Press eBooks · 2015 · FWCI 172.00 · 8,905 citations

  This thoroughly revised edition offers a comprehensive account of the role of free radicals, reactive species (RS), and antioxidants in life, health, and disease.

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• The HITRAN2016 molecular spectroscopic database

  Journal of Quantitative Spectroscopy and Radiative Transfer · 2017 · Q1 · FWCI 292.66 · 7,955 citations

  The HITRAN2020 database, a comprehensive compilation of molecular spectroscopic parameters, has been significantly updated with new experimental and theoretical data, enhancing accuracy for atmospheric absorbers and expanding spectral coverage.

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• PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

  Journal of Chemical Theory and Computation · 2013 · Q1 · SJR 1.00 · FWCI 61.99 · 7,622 citations

  Two complementary, freely available software packages, PTRAJ and its successor CPPTRAJ, are introduced for processing and analyzing molecular dynamics trajectory data.

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• In situ click chemistry generation of cyclooxygenase-2 inhibitors

  Nature Communications · 2017 · Q1 · SJR 4.00 · FWCI 252.60 · 7,562 citations · Open access

  Researchers developed a novel method using the cyclooxygenase-2 (COX-2) enzyme's active site as a reaction vessel to generate highly specific COX-2 inhibitors via in situ click chemistry.

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Journals in this field

The journals that publish most of this field’s papers. Quartile (Q1–Q4), SJR and h-index are from SCImago Journal Rank; “in this field” is how many of the journal’s pooled papers belong here. What is a Q1 journal? · What is the h-index?

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