P. Cabral do Couto
University of Chemistry and Technology, Prague(CZ)
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Photochemistry and Electron Transfer Studies, Atmospheric Ozone and Climate, Free Radicals and Antioxidants
Most-Cited Works
- → Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho−para Method(2004)103 cited
- → The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation(2003)82 cited
- → The Kohn-Sham density of states and band gap of water: From small clusters to liquid water(2005)65 cited
- → Binding energy, structure, and vibrational spectra of (HCl)2–6 and (HF)2–10 clusters by density functional theory(2003)49 cited
- → An All-Atom Force Field for Metallocenes(2006)46 cited
- → Electron binding energies of water clusters: Implications for the electronic properties of liquid water(2006)32 cited
- → Phenol O–H bond dissociation energy in water clusters(2001)31 cited
- → Polarization effects and charge separation in AgCl-water clusters(2005)29 cited
- → Insights into the ultraviolet spectrum of liquid water from model calculations(2010)26 cited
- → On the Performance of Optimally Tuned Range-Separated Hybrid Functionals for X-ray Absorption Modeling(2015)25 cited