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Warren J. Hehre

Carnegie Mellon UniversityORCID https://orcid.org/0000-0003-4138-8569

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Publications

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Citations

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Impact (2-yr)

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Top Publications

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

The Journal of Chemical Physics197215,556 citationsFirst authorCorresponding

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

The Journal of Chemical Physics197110,397 citations

Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

The Journal of Chemical Physics19828,098 citations

Ab initio molecular orbital theory

Accounts of Chemical Research19767,925 citationsFirst authorCorresponding

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

The Journal of Chemical Physics19694,171 citationsFirst authorCorresponding

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

Journal of the American Chemical Society19803,850 citations

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Molecular Physics20143,103 citations

Advances in methods and algorithms in a modern quantum chemistry program package

Physical Chemistry Chemical Physics20062,783 citations