Concepedia
Chemical Physics Letters · 2012 · 37 citations · 30 references
Natural SciencesChemistryGreen ChemistryRetrosynthetic AnalysisViologen-based Materials
30
Toward reliable density functional methods without adjustable parameters: The PBE0 model
Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1999 · 18.9K citations
Natural Sciences, Chemistry, Physics +9
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
Vincenzo Barone, Maurizio Cossi · The Journal of Physical Chemistry A · 1998 · 10K citations
Natural Sciences, Chemistry, Physics +15
Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model
Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations
Natural Sciences, Chemistry, Computational Chemistry +14
Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
Rüdiger Bauernschmitt, Reinhart Ahlrichs · Chemical Physics Letters · 1996 · 5.7K citations
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
Matthias Ernzerhof, Gustavo E. Scuseria · The Journal of Chemical Physics · 1999 · 5.4K citations
Natural Sciences, Chemistry, Physics +16