Liquid-State Quantum Chemistry: An Improved Cavity Model
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLiquid-State Quantum Chemistry: An Improved Cavity ModelValerie Dillet, Daniel Rinaldi, and Jean-Louis RivailCite this: J. Phys. Chem...
Publications
3 shownAnalytical energy derivatives for a realistic continuum model of solvation: Application to the analysis of solvent effects on reaction paths
Analytical expressions for the first and second derivatives of the Hartree–Fock energy have been derived in case of a solvated system simulated by a multipolar charge distributi...
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Researcher Info
- h-index
- 3
- Publications
- 3
- Citations
- 526
- Institution
- Laboratoire de Chimie Théorique
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Impact Metrics
h-index
3
h-index: Number of publications with at least h citations each.