Umpolung catalysts: comparative assessments on reactivities

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Electron Density, Chemical Thermodynamics, Engineering +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

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Vibrational Absorption, Engineering, Altmetric Attention Score +16

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

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.4K citations

Extended Basis Set, Engineering, Theoretical Inorganic Chemistry +23

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

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Engineering, Computational Chemistry, Chemistry +19