Synthesis of arylboronates via Cp*RuCl-catalyzed cycloaddition of alkynylboronates

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

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The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

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<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

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

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Natural Sciences, Chemistry, Physics +16