Spectroscopic and ab initio study of an intramolecular charge transfer (ICT) rhodanine derivative

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

Natural Sciences, Chemistry, Physics +17

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

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Natural Sciences, Chemistry, Physics +15

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

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Natural Sciences, Chemistry, Computational Chemistry +16

Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

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Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix‐inversion procedures and the renormalization of the apparent charges

Roberto Cammi, J. Tomasi · Journal of Computational Chemistry · 1995 · 1.4K citations

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