Most cited papers in Chemical Thermodynamics and Molecular Structure

The most cited paper in Chemical Thermodynamics and Molecular Structure is "Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules" (Warren J. Hehre, ROBERT DITCHFIELD, John Anthony Pople, 1972), with 16,002 citations. Next come "Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions" (15,720) and "Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids" (15,659).

Showing 50 of 100 papers. Every paper with more than 1,412 citations is listed.

Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for a field when OpenAlex files it under one of the field's topics; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.